Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.

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D-Psicose, 98%

CAS: 551-68-8 Molecular Formula: C₆H₁₂O₆ Molecular Weight (g/mol): 180.16 MDL Number: MFCD00083478 InChI Key: BJHIKXHVCXFQLS-PUFIMZNGSA-N Synonym: erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose PubChem CID: 90008 ChEBI: CHEBI:27605 IUPAC Name: (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

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Specifications

PubChem CID	90008
CAS	551-68-8
Molecular Weight (g/mol)	180.16
ChEBI	CHEBI:27605
MDL Number	MFCD00083478
SMILES	C(C(C(C(C(=O)CO)O)O)O)O
Synonym	erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose
IUPAC Name	(3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key	BJHIKXHVCXFQLS-PUFIMZNGSA-N
Molecular Formula	C₆H₁₂O₆

Thermo Scientific Chemicals D(-)-Fructose, 99%

CAS: 57-48-7 Molecular Formula: C₆H₁₂O₆ Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

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Specifications

PubChem CID	5984
CAS	57-48-7
Molecular Weight (g/mol)	180.16
ChEBI	CHEBI:48095
SMILES	C(C(C(C(C(=O)CO)O)O)O)O
Synonym	d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
IUPAC Name	(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key	BJHIKXHVCXFQLS-UYFOZJQFSA-N
Molecular Formula	C₆H₁₂O₆

Benzil, 99+%

CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: 1,2-diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	8651
CAS	134-81-6
Molecular Weight (g/mol)	210.23
ChEBI	CHEBI:51507
MDL Number	MFCD00003080
SMILES	O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon
IUPAC Name	1,2-diphenylethane-1,2-dione
InChI Key	WURBFLDFSFBTLW-UHFFFAOYSA-N
Molecular Formula	C14H10O2

4'-Methylacetophenone, 95%

CAS: 122-00-9 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008751 InChI Key: GNKZMNRKLCTJAY-UHFFFAOYSA-N Synonym: 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene PubChem CID: 8500 IUPAC Name: 1-(4-methylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C)C=C1

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Specifications

PubChem CID	8500
CAS	122-00-9
Molecular Weight (g/mol)	134.18
MDL Number	MFCD00008751
SMILES	CC(=O)C1=CC=C(C)C=C1
Synonym	4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene
IUPAC Name	1-(4-methylphenyl)ethanone
InChI Key	GNKZMNRKLCTJAY-UHFFFAOYSA-N
Molecular Formula	C9H10O

3',5'-Dimethoxy-4'-hydroxyacetophenone, 97%

CAS: 2478-38-8 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Synonym: acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O

Pricing and Availability
Specifications

PubChem CID	17198
CAS	2478-38-8
Molecular Weight (g/mol)	196.20
ChEBI	CHEBI:2404
MDL Number	MFCD00008748
SMILES	COC1=CC(=CC(OC)=C1O)C(C)=O
Synonym	acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy
IUPAC Name	1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
InChI Key	OJOBTAOGJIWAGB-UHFFFAOYSA-N
Molecular Formula	C10H12O4

5-Acetyl-2-thiophenecarbaldehyde, 97%, Thermo Scientific™

CAS: 4565-29-1 Molecular Formula: C7H6O2S Molecular Weight (g/mol): 154.183 InChI Key: ISGDPVVLVWQENT-UHFFFAOYSA-N Synonym: 5-acetyl-2-thiophenecarbaldehyde,2-acetyl-5-formylthiophene,5-acetyl-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde,5-acetyl PubChem CID: 2794713 IUPAC Name: 5-acetylthiophene-2-carbaldehyde SMILES: CC(=O)C1=CC=C(S1)C=O

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Specifications

PubChem CID	2794713
CAS	4565-29-1
Molecular Weight (g/mol)	154.183
SMILES	CC(=O)C1=CC=C(S1)C=O
Synonym	5-acetyl-2-thiophenecarbaldehyde,2-acetyl-5-formylthiophene,5-acetyl-thiophene-2-carbaldehyde,2-thiophenecarboxaldehyde,5-acetyl
IUPAC Name	5-acetylthiophene-2-carbaldehyde
InChI Key	ISGDPVVLVWQENT-UHFFFAOYSA-N
Molecular Formula	C7H6O2S

3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile, Thermo Scientific™

CAS: 175136-65-9 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.083 InChI Key: NVZISNDFOXXQSQ-UHFFFAOYSA-N Synonym: 3-2-bromo-5-methoxyphenyl-3-oxopropanenitrile,maybridge1_002847,3-2-bromo-5-methoxy-phenyl-3-oxo-propanenitrile PubChem CID: 2804251 IUPAC Name: 3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile SMILES: COC1=CC(=C(C=C1)Br)C(=O)CC#N

Pricing and Availability
Specifications

PubChem CID	2804251
CAS	175136-65-9
Molecular Weight (g/mol)	254.083
SMILES	COC1=CC(=C(C=C1)Br)C(=O)CC#N
Synonym	3-2-bromo-5-methoxyphenyl-3-oxopropanenitrile,maybridge1_002847,3-2-bromo-5-methoxy-phenyl-3-oxo-propanenitrile
IUPAC Name	3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile
InChI Key	NVZISNDFOXXQSQ-UHFFFAOYSA-N
Molecular Formula	C10H8BrNO2

3-(2-Bromoacetyl)benzonitrile, 95%, Thermo Scientific™

CAS: 50916-55-7 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.06 MDL Number: MFCD00833267 InChI Key: XWCGNFLHRINYCE-UHFFFAOYSA-N Synonym: 3-2-bromoacetyl benzonitrile,3-cyanophenacyl bromide,3-cyanophenacylbromide,2-bromo-3'-cyanoacetophenone,3-2-bromoacetyl benzenecarbonitrile,3-bromoacetyl benzonitrile,3-2-bromo-acetyl-benzonitrile,benzonitrile, 3-bromoacetyl,3-bromoacetyl-benzonitrile PubChem CID: 2735867 IUPAC Name: 3-(2-bromoacetyl)benzonitrile SMILES: BrCC(=O)C1=CC=CC(=C1)C#N

Pricing and Availability
Specifications

PubChem CID	2735867
CAS	50916-55-7
Molecular Weight (g/mol)	224.06
MDL Number	MFCD00833267
SMILES	BrCC(=O)C1=CC=CC(=C1)C#N
Synonym	3-2-bromoacetyl benzonitrile,3-cyanophenacyl bromide,3-cyanophenacylbromide,2-bromo-3'-cyanoacetophenone,3-2-bromoacetyl benzenecarbonitrile,3-bromoacetyl benzonitrile,3-2-bromo-acetyl-benzonitrile,benzonitrile, 3-bromoacetyl,3-bromoacetyl-benzonitrile
IUPAC Name	3-(2-bromoacetyl)benzonitrile
InChI Key	XWCGNFLHRINYCE-UHFFFAOYSA-N
Molecular Formula	C9H6BrNO

Phenyl(4-piperidyl)methanone hydrochloride, 97%, Thermo Scientific™

CAS: 25519-80-6 Molecular Formula: C12H16ClNO Molecular Weight (g/mol): 225.716 InChI Key: NXYKIFZJQXOUJS-UHFFFAOYSA-N Synonym: 4-benzoylpiperidine hydrochloride,phenyl piperidin-4-yl methanone hydrochloride,4-benzoylpiperidine hcl,phenyl 4-piperidyl methanone hydrochloride,4-benzoyl piperidine hydrochloride,4-benzoylpiperidine hydrogen chloride,methanone, phenyl-4-piperidinyl-, hydrochloride,phenyl 4-piperidyl ketone, chloride,4-benzoyl piperidine hcl,pubchem9881 PubChem CID: 2724437 IUPAC Name: phenyl(piperidin-4-yl)methanone;hydrochloride SMILES: C1CNCCC1C(=O)C2=CC=CC=C2.Cl

Pricing and Availability
Specifications

PubChem CID	2724437
CAS	25519-80-6
Molecular Weight (g/mol)	225.716
SMILES	C1CNCCC1C(=O)C2=CC=CC=C2.Cl
Synonym	4-benzoylpiperidine hydrochloride,phenyl piperidin-4-yl methanone hydrochloride,4-benzoylpiperidine hcl,phenyl 4-piperidyl methanone hydrochloride,4-benzoyl piperidine hydrochloride,4-benzoylpiperidine hydrogen chloride,methanone, phenyl-4-piperidinyl-, hydrochloride,phenyl 4-piperidyl ketone, chloride,4-benzoyl piperidine hcl,pubchem9881
IUPAC Name	phenyl(piperidin-4-yl)methanone;hydrochloride
InChI Key	NXYKIFZJQXOUJS-UHFFFAOYSA-N
Molecular Formula	C12H16ClNO

N1-(4-acetyl-3-hydroxyphenyl)acetamide, Thermo Scientific™

CAS: 40547-58-8 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 InChI Key: ZSSHNMZQDWSUJJ-UHFFFAOYSA-N Synonym: n-4-acetyl-3-hydroxyphenyl acetamide,n1-4-acetyl-3-hydroxyphenyl acetamide,4'-acetamido-2'-hydroxyacetophenone,acetamide, n-4-acetyl-3-hydroxyphenyl,4-acetamido-2-hydroxyacetophenone,n-4-acetyl-3-hydroxy-phenyl acetamide,n-4-acetyl-3-hydroxy-phenyl-acetamide PubChem CID: 2775185 IUPAC Name: N-(4-acetyl-3-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=C(C=C1)NC(=O)C)O

Pricing and Availability
Specifications

PubChem CID	2775185
CAS	40547-58-8
Molecular Weight (g/mol)	193.202
SMILES	CC(=O)C1=C(C=C(C=C1)NC(=O)C)O
Synonym	n-4-acetyl-3-hydroxyphenyl acetamide,n1-4-acetyl-3-hydroxyphenyl acetamide,4'-acetamido-2'-hydroxyacetophenone,acetamide, n-4-acetyl-3-hydroxyphenyl,4-acetamido-2-hydroxyacetophenone,n-4-acetyl-3-hydroxy-phenyl acetamide,n-4-acetyl-3-hydroxy-phenyl-acetamide
IUPAC Name	N-(4-acetyl-3-hydroxyphenyl)acetamide
InChI Key	ZSSHNMZQDWSUJJ-UHFFFAOYSA-N
Molecular Formula	C10H11NO3

5-Acetylthiophene-2-carbonitrile, 97%, Thermo Scientific™

CAS: 88653-55-8 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 InChI Key: VSHPLUBHIUFLES-UHFFFAOYSA-N Synonym: 2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci PubChem CID: 2747565 IUPAC Name: 5-acetylthiophene-2-carbonitrile SMILES: CC(=O)C1=CC=C(S1)C#N

Pricing and Availability
Specifications

PubChem CID	2747565
CAS	88653-55-8
Molecular Weight (g/mol)	151.183
SMILES	CC(=O)C1=CC=C(S1)C#N
Synonym	2-acetyl-5-cyanothiophene,2-acetyl-5-cyanotiophene,5-cyano-2-acetylthiophene,5-acetyl-2-thiophenecarbonitrile,maybridge1_000101,acmc-20ao65,2-cyano-5-acetyl-thiophene,5-acetyl-thiophene-2-carbonitrile,5-ethanoylthiophene-2-carbonitrile,2-thiophenecarbonitrile, 5-acetyl-7ci,9ci
IUPAC Name	5-acetylthiophene-2-carbonitrile
InChI Key	VSHPLUBHIUFLES-UHFFFAOYSA-N
Molecular Formula	C7H5NOS

Thermo Scientific Chemicals D(-)-Tagatose, 99+%

CAS: 87-81-0 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00134449 InChI Key: BJHIKXHVCXFQLS-PQLUHFTBSA-N Synonym: 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose PubChem CID: 92092 ChEBI: CHEBI:47693 IUPAC Name: (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

Pricing and Availability
Specifications

PubChem CID	92092
CAS	87-81-0
Molecular Weight (g/mol)	180.156
ChEBI	CHEBI:47693
MDL Number	MFCD00134449
SMILES	C(C(C(C(C(=O)CO)O)O)O)O
Synonym	3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose
IUPAC Name	(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key	BJHIKXHVCXFQLS-PQLUHFTBSA-N
Molecular Formula	C6H12O6

2-Bromo-1-(2,4-dimethylphenyl)ethan-1-one, Thermo Scientific™

CAS: 26346-85-0 Molecular Formula: C10H11BrO Molecular Weight (g/mol): 227.101 InChI Key: GSCCVWPVPFIRJP-UHFFFAOYSA-N Synonym: 2-bromo-1-2,4-dimethylphenyl ethanone,2-bromo-1-2,4-dimethylphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethylphenyl,2-bromo-2',4'-dimethylacetophenone,2,4-dimethylphenacyl bromide,2,4-dimethyl phenacyl bromide,pubchem16796,2,4-dimethylphenacyl bromid,ksc557o1l,alpha-bromo-2',4'-dimethylacetophenone PubChem CID: 2063450 IUPAC Name: 2-bromo-1-(2,4-dimethylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)C(=O)CBr)C

Pricing and Availability
Specifications

PubChem CID	2063450
CAS	26346-85-0
Molecular Weight (g/mol)	227.101
SMILES	CC1=CC(=C(C=C1)C(=O)CBr)C
Synonym	2-bromo-1-2,4-dimethylphenyl ethanone,2-bromo-1-2,4-dimethylphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethylphenyl,2-bromo-2',4'-dimethylacetophenone,2,4-dimethylphenacyl bromide,2,4-dimethyl phenacyl bromide,pubchem16796,2,4-dimethylphenacyl bromid,ksc557o1l,alpha-bromo-2',4'-dimethylacetophenone
IUPAC Name	2-bromo-1-(2,4-dimethylphenyl)ethanone
InChI Key	GSCCVWPVPFIRJP-UHFFFAOYSA-N
Molecular Formula	C10H11BrO

N1-(3-acetyl-4-hydroxyphenyl)acetamide, Thermo Scientific™

CAS: 7298-67-1 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 InChI Key: DIQSYMRVTOVKQT-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide PubChem CID: 81720 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=CC(=C1)NC(=O)C)O

Pricing and Availability
Specifications

PubChem CID	81720
CAS	7298-67-1
Molecular Weight (g/mol)	193.202
SMILES	CC(=O)C1=C(C=CC(=C1)NC(=O)C)O
Synonym	n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide
IUPAC Name	N-(3-acetyl-4-hydroxyphenyl)acetamide
InChI Key	DIQSYMRVTOVKQT-UHFFFAOYSA-N
Molecular Formula	C10H11NO3

5-Aminoindan-1-one, 97%, Thermo Scientific™

CAS: 3470-54-0 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: HODOSJNSRPXYBH-UHFFFAOYSA-N Synonym: 5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one PubChem CID: 312890 IUPAC Name: 5-amino-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)N

Pricing and Availability
Specifications

PubChem CID	312890
CAS	3470-54-0
Molecular Weight (g/mol)	147.177
SMILES	C1CC(=O)C2=C1C=C(C=C2)N
Synonym	5-aminoindan-1-one,5-amino-1-indanone,5-amino-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-amino-2,3-dihydro,5-aminoindanone,5-amino-1-oxoindane,5-amino-indan-1-one,pubchem14476,5-amino-1-indanone #,5-azanyl-2,3-dihydroinden-1-one
IUPAC Name	5-amino-2,3-dihydroinden-1-one
InChI Key	HODOSJNSRPXYBH-UHFFFAOYSA-N
Molecular Formula	C9H9NO

Complex Ketones

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