Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.

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Thermo Scientific Chemicals (-)-Epigallocatechin gallate, 95%

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Propyl gallate, 98%

CAS: 121-79-9 Molecular Formula: C₁₀H₁₂O₅ Molecular Weight (g/mol): 212.2 MDL Number: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N Synonym: propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate PubChem CID: 4947 ChEBI: CHEBI:10607 IUPAC Name: propyl 3,4,5-trihydroxybenzoate SMILES: CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

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Specifications

PubChem CID	4947
CAS	121-79-9
Molecular Weight (g/mol)	212.2
ChEBI	CHEBI:10607
MDL Number	MFCD00002196
SMILES	CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym	propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate
IUPAC Name	propyl 3,4,5-trihydroxybenzoate
InChI Key	ZTHYODDOHIVTJV-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₅

Isopropyl myristate, 96%

CAS: 110-27-0 Molecular Formula: C₁₇H₃₄O₂ Molecular Weight (g/mol): 270.45 MDL Number: MFCD00008982 InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N Synonym: isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester PubChem CID: 8042 IUPAC Name: propan-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C

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Specifications

PubChem CID	8042
CAS	110-27-0
Molecular Weight (g/mol)	270.45
MDL Number	MFCD00008982
SMILES	CCCCCCCCCCCCCC(=O)OC(C)C
Synonym	isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester
IUPAC Name	propan-2-yl tetradecanoate
InChI Key	AXISYYRBXTVTFY-UHFFFAOYSA-N
Molecular Formula	C₁₇H₃₄O₂

Propionic anhydride, 99

CAS: 123-62-6 Molecular Formula: C_{6;H_{1;_{0;O_{3; Molecular Weight (g/mol): 130.14}}}}

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Specifications

CAS	123-62-6
Molecular Weight (g/mol)	130.14
Molecular Formula	C_{6;H_{1;_{0;O_3;}}}

Hydrazine acetate, 97%

CAS: 7335-65-1 Molecular Formula: C2H8N2O2 Molecular Weight (g/mol): 92.10 MDL Number: MFCD00013141 InChI Key: YFHNDHXQDJQEEE-UHFFFAOYSA-N Synonym: hydrazine acetate,hydrazinium acetate,hydrazine, monoacetate,hydrazine monoacetate,acetic acid; hydrazine,hydrazineacetate,hydrazine, acetate 1:1,acetic acid; diamine,hydrazine mono-acetate,acmc-209bph PubChem CID: 165591 IUPAC Name: acetic acid;hydrazine SMILES: NN.CC(O)=O

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Specifications

PubChem CID	165591
CAS	7335-65-1
Molecular Weight (g/mol)	92.10
MDL Number	MFCD00013141
SMILES	NN.CC(O)=O
Synonym	hydrazine acetate,hydrazinium acetate,hydrazine, monoacetate,hydrazine monoacetate,acetic acid; hydrazine,hydrazineacetate,hydrazine, acetate 1:1,acetic acid; diamine,hydrazine mono-acetate,acmc-209bph
IUPAC Name	acetic acid;hydrazine
InChI Key	YFHNDHXQDJQEEE-UHFFFAOYSA-N
Molecular Formula	C2H8N2O2

Benzothiazole-6-carboxylic acid, 96%

CAS: 3622-35-3 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.19 MDL Number: MFCD00111651 InChI Key: DMPZJACLHDWUFS-UHFFFAOYSA-N Synonym: benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 PubChem CID: 601670 IUPAC Name: 1,3-benzothiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CSC2=C1

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Specifications

PubChem CID	601670
CAS	3622-35-3
Molecular Weight (g/mol)	179.19
MDL Number	MFCD00111651
SMILES	OC(=O)C1=CC=C2N=CSC2=C1
Synonym	benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2
IUPAC Name	1,3-benzothiazole-6-carboxylic acid
InChI Key	DMPZJACLHDWUFS-UHFFFAOYSA-N
Molecular Formula	C8H5NO2S

Pyrrole-2-carboxylic acid, 97%

CAS: 634-97-9 Molecular Formula: C₅H₅NO₂ Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005219 InChI Key: WRHZVMBBRYBTKZ-UHFFFAOYSA-N Synonym: pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc PubChem CID: 12473 ChEBI: CHEBI:36751 IUPAC Name: 1H-pyrrole-2-carboxylic acid SMILES: C1=CNC(=C1)C(=O)O

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Specifications

PubChem CID	12473
CAS	634-97-9
Molecular Weight (g/mol)	111.1
ChEBI	CHEBI:36751
MDL Number	MFCD00005219
SMILES	C1=CNC(=C1)C(=O)O
Synonym	pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc
IUPAC Name	1H-pyrrole-2-carboxylic acid
InChI Key	WRHZVMBBRYBTKZ-UHFFFAOYSA-N
Molecular Formula	C₅H₅NO₂

2,3-Dimethyl-quinoxaline-6-carboxylic acid, 97%, Thermo Scientific™

CAS: 17635-26-6 Molecular Formula: C11H9N2O2 Molecular Weight (g/mol): 201.21 MDL Number: MFCD02575516 InChI Key: RCACNAWRFYUKLC-UHFFFAOYSA-M Synonym: 2,3-dimethyl-quinoxaline-6-carboxylic acid,2,3-dimethyl-6-quinoxalinecarboxylic acid,6-quinoxalinecarboxylicacid, 2,3-dimethyl,6-quinoxalinecarboxylic acid, 2,3-dimethyl PubChem CID: 236268 SMILES: CC1=C(C)N=C2C=C(C=CC2=N1)C([O-])=O

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Specifications

PubChem CID	236268
CAS	17635-26-6
Molecular Weight (g/mol)	201.21
MDL Number	MFCD02575516
SMILES	CC1=C(C)N=C2C=C(C=CC2=N1)C([O-])=O
Synonym	2,3-dimethyl-quinoxaline-6-carboxylic acid,2,3-dimethyl-6-quinoxalinecarboxylic acid,6-quinoxalinecarboxylicacid, 2,3-dimethyl,6-quinoxalinecarboxylic acid, 2,3-dimethyl
InChI Key	RCACNAWRFYUKLC-UHFFFAOYSA-M
Molecular Formula	C11H9N2O2

n-Butyl lactate, 99%

CAS: 138-22-7 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N Synonym: butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 PubChem CID: 8738 IUPAC Name: butyl 2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O

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Specifications

PubChem CID	8738
CAS	138-22-7
Molecular Weight (g/mol)	146.19
MDL Number	MFCD00004519
SMILES	CCCCOC(=O)C(C)O
Synonym	butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205
IUPAC Name	butyl 2-hydroxypropanoate
InChI Key	MRABAEUHTLLEML-UHFFFAOYNA-N
Molecular Formula	C7H14O3

Quinoxaline-5-carboxylic acid, 95%, Thermo Scientific Chemicals

CAS: 6924-66-9 Molecular Formula: C₉H₆N₂O₂ Molecular Weight (g/mol): 174.16 MDL Number: MFCD02854494 InChI Key: QLZNISOPACYKOR-UHFFFAOYSA-N Synonym: 5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid PubChem CID: 776833 IUPAC Name: quinoxaline-5-carboxylic acid SMILES: C1=CC(=C2C(=C1)N=CC=N2)C(=O)O

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Specifications

PubChem CID	776833
CAS	6924-66-9
Molecular Weight (g/mol)	174.16
MDL Number	MFCD02854494
SMILES	C1=CC(=C2C(=C1)N=CC=N2)C(=O)O
Synonym	5-quinoxalinecarboxylic acid,5-carboxyquinoxaline,5-quinoxalinecarboxylicacid
IUPAC Name	quinoxaline-5-carboxylic acid
InChI Key	QLZNISOPACYKOR-UHFFFAOYSA-N
Molecular Formula	C₉H₆N₂O₂

Syringic acid, 97%

CAS: 530-57-4 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.17 MDL Number: MFCD00002552 InChI Key: JMSVCTWVEWCHDZ-UHFFFAOYSA-N Synonym: syringic acid,3,5-dimethoxy-4-hydroxybenzoic acid,cedar acid,gallic acid 3,5-dimethyl ether,benzoic acid, 4-hydroxy-3,5-dimethoxy,3,5-dimethoxy-4-hydroxybenzyl acid,4-hydroxy-3,5-dimethoxy-benzoic acid,chembl1414,syringicacid,syringlicacid PubChem CID: 10742 ChEBI: CHEBI:68329 IUPAC Name: 4-hydroxy-3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1O)C(O)=O

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Specifications

PubChem CID	10742
CAS	530-57-4
Molecular Weight (g/mol)	198.17
ChEBI	CHEBI:68329
MDL Number	MFCD00002552
SMILES	COC1=CC(=CC(OC)=C1O)C(O)=O
Synonym	syringic acid,3,5-dimethoxy-4-hydroxybenzoic acid,cedar acid,gallic acid 3,5-dimethyl ether,benzoic acid, 4-hydroxy-3,5-dimethoxy,3,5-dimethoxy-4-hydroxybenzyl acid,4-hydroxy-3,5-dimethoxy-benzoic acid,chembl1414,syringicacid,syringlicacid
IUPAC Name	4-hydroxy-3,5-dimethoxybenzoic acid
InChI Key	JMSVCTWVEWCHDZ-UHFFFAOYSA-N
Molecular Formula	C9H10O5

Ethyl isobutyrate, 99%

CAS: 97-62-1 Molecular Formula: C₆H₁₂O₂ Molecular Weight (g/mol): 116.18 MDL Number: MFCD00009165 InChI Key: WDAXFOBOLVPGLV-UHFFFAOYSA-N Synonym: ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural PubChem CID: 7342 ChEBI: CHEBI:87303 IUPAC Name: ethyl 2-methylpropanoate SMILES: CCOC(=O)C(C)C

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Specifications

PubChem CID	7342
CAS	97-62-1
Molecular Weight (g/mol)	116.18
ChEBI	CHEBI:87303
MDL Number	MFCD00009165
SMILES	CCOC(=O)C(C)C
Synonym	ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural
IUPAC Name	ethyl 2-methylpropanoate
InChI Key	WDAXFOBOLVPGLV-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂O₂

2-Propylpentanoic acid, 99%

CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O

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Specifications

PubChem CID	3121
CAS	99-66-1
Molecular Weight (g/mol)	144.21
ChEBI	CHEBI:39867
MDL Number	MFCD00002672
SMILES	CCCC(CCC)C(O)=O
Synonym	valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl
IUPAC Name	2-propylpentanoic acid
InChI Key	NIJJYAXOARWZEE-UHFFFAOYSA-N
Molecular Formula	C8H16O2

p-Tolylacetic acid, 99%

CAS: 622-47-9 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004353 InChI Key: GXXXUZIRGXYDFP-UHFFFAOYSA-N Synonym: p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid PubChem CID: 248474 IUPAC Name: 2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	248474
CAS	622-47-9
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00004353
SMILES	CC1=CC=C(C=C1)CC(=O)O
Synonym	p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid
IUPAC Name	2-(4-methylphenyl)acetic acid
InChI Key	GXXXUZIRGXYDFP-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 378211-85-9 Molecular Formula: C₇H₅N₃O₂ Molecular Weight (g/mol): 163.14 MDL Number: MFCD00297221 InChI Key: DZPAOAZDQHZRGG-UHFFFAOYSA-N Synonym: pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid PubChem CID: 670824 IUPAC Name: pyrazolo[1,5-a]pyrimidine-2-carboxylic acid SMILES: C1=CN2C(=CC(=N2)C(=O)O)N=C1

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Specifications

PubChem CID	670824
CAS	378211-85-9
Molecular Weight (g/mol)	163.14
MDL Number	MFCD00297221
SMILES	C1=CN2C(=CC(=N2)C(=O)O)N=C1
Synonym	pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid
IUPAC Name	pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI Key	DZPAOAZDQHZRGG-UHFFFAOYSA-N
Molecular Formula	C₇H₅N₃O₂

Monocarboxylic acids and derivatives

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