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Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.
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N-Hydroxyphthalimide, 98%

CAS: 524-38-9 Molecular Formula: C8H5NO3 Molecular Weight (g/mol): 163.13 MDL Number: MFCD00005891 InChI Key: CFMZSMGAMPBRBE-UHFFFAOYSA-N Synonym: n-hydroxyphthalimide,2-hydroxyisoindoline-1,3-dione,2-hydroxy-1h-isoindole-1,3 2h-dione,nhpi,2-hydroxyphthalimide,1h-isoindole-1,3 2h-dione, 2-hydroxy,phthalimide, n-hydroxy,phthaloxime,unii-bxi99m81x0,2-hydroxyisoindolin-1,3-dione PubChem CID: 10665 IUPAC Name: 2-hydroxyisoindole-1,3-dione SMILES: ON1C(=O)C2=CC=CC=C2C1=O

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PubChem CID 10665
CAS 524-38-9
Molecular Weight (g/mol) 163.13
MDL Number MFCD00005891
SMILES ON1C(=O)C2=CC=CC=C2C1=O
Synonym n-hydroxyphthalimide,2-hydroxyisoindoline-1,3-dione,2-hydroxy-1h-isoindole-1,3 2h-dione,nhpi,2-hydroxyphthalimide,1h-isoindole-1,3 2h-dione, 2-hydroxy,phthalimide, n-hydroxy,phthaloxime,unii-bxi99m81x0,2-hydroxyisoindolin-1,3-dione
IUPAC Name 2-hydroxyisoindole-1,3-dione
InChI Key CFMZSMGAMPBRBE-UHFFFAOYSA-N
Molecular Formula C8H5NO3
2

Ethylene glycol-O,O'-bis(2-aminoethyl)-N,N,N',N'-tetraacetic acid, 97%

CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 MDL Number: MFCD00004291 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

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PubChem CID 6207
CAS 67-42-5
Molecular Weight (g/mol) 380.35
ChEBI CHEBI:30740
MDL Number MFCD00004291
SMILES C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Synonym egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn
IUPAC Name 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
InChI Key DEFVIWRASFVYLL-UHFFFAOYSA-N
Molecular Formula C14H24N2O10
3

N,N'-Dimethylurea, 98%

CAS: 96-31-1 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00008286 InChI Key: MGJKQDOBUOMPEZ-UHFFFAOYSA-N Synonym: n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x PubChem CID: 7293 ChEBI: CHEBI:80472 IUPAC Name: 1,3-dimethylurea SMILES: CNC(=O)NC

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PubChem CID 7293
CAS 96-31-1
Molecular Weight (g/mol) 88.11
ChEBI CHEBI:80472
MDL Number MFCD00008286
SMILES CNC(=O)NC
Synonym n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x
IUPAC Name 1,3-dimethylurea
InChI Key MGJKQDOBUOMPEZ-UHFFFAOYSA-N
Molecular Formula C3H8N2O
4

N,N-Dimethylacetamide, 99%

CAS: 127-19-5 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00008686 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine PubChem CID: 31374 ChEBI: CHEBI:84254 IUPAC Name: N,N-dimethylacetamide SMILES: CN(C)C(C)=O

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PubChem CID 31374
CAS 127-19-5
Molecular Weight (g/mol) 87.12
ChEBI CHEBI:84254
MDL Number MFCD00008686
SMILES CN(C)C(C)=O
Synonym dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine
IUPAC Name N,N-dimethylacetamide
InChI Key FXHOOIRPVKKKFG-UHFFFAOYSA-N
Molecular Formula C4H9NO
5

Ethylene glycol-O,O'-bis(2-aminoethyl)-N,N,N',N'-tetraacetic acid, 0.5M aq. soln., pH 8.0

CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 MDL Number: MFCD00004291 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

EDGE
PubChem CID 6207
CAS 67-42-5
Molecular Weight (g/mol) 380.35
ChEBI CHEBI:30740
MDL Number MFCD00004291
SMILES C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Synonym egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn
IUPAC Name 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
InChI Key DEFVIWRASFVYLL-UHFFFAOYSA-N
Molecular Formula C14H24N2O10
6

N,N-Dimethylacetamide, anhydrous, 99.8%, packaged under Argon in resealable ChemSeal™ bottles

CAS: 127-19-5 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00008686 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine PubChem CID: 31374 ChEBI: CHEBI:84254 IUPAC Name: N,N-dimethylacetamide SMILES: CN(C)C(C)=O

EDGE
PubChem CID 31374
CAS 127-19-5
Molecular Weight (g/mol) 87.12
ChEBI CHEBI:84254
MDL Number MFCD00008686
SMILES CN(C)C(C)=O
Synonym dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine
IUPAC Name N,N-dimethylacetamide
InChI Key FXHOOIRPVKKKFG-UHFFFAOYSA-N
Molecular Formula C4H9NO
7

n-Tetradecanamide, 98%

CAS: 638-58-4 Molecular Formula: C14H29NO Molecular Weight (g/mol): 227.392 MDL Number: MFCD00025533 InChI Key: QEALYLRSRQDCRA-UHFFFAOYSA-N Synonym: myristamide,n-tetradecanamide,myristic amide,myristic acid amide,tetradecylamide,unii-a269j8qg0o,myristicamide,tetradecanoic acid amide,chembl88158 PubChem CID: 69492 IUPAC Name: tetradecanamide SMILES: CCCCCCCCCCCCCC(=O)N

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PubChem CID 69492
CAS 638-58-4
Molecular Weight (g/mol) 227.392
MDL Number MFCD00025533
SMILES CCCCCCCCCCCCCC(=O)N
Synonym myristamide,n-tetradecanamide,myristic amide,myristic acid amide,tetradecylamide,unii-a269j8qg0o,myristicamide,tetradecanoic acid amide,chembl88158
IUPAC Name tetradecanamide
InChI Key QEALYLRSRQDCRA-UHFFFAOYSA-N
Molecular Formula C14H29NO
8

n-Octyl gallate, 98+%

CAS: 1034-01-1 Molecular Formula: C15H22O5 Molecular Weight (g/mol): 282.336 MDL Number: MFCD00002197 InChI Key: NRPKURNSADTHLJ-UHFFFAOYSA-N Synonym: octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove PubChem CID: 61253 ChEBI: CHEBI:83631 IUPAC Name: octyl 3,4,5-trihydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O

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PubChem CID 61253
CAS 1034-01-1
Molecular Weight (g/mol) 282.336
ChEBI CHEBI:83631
MDL Number MFCD00002197
SMILES CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove
IUPAC Name octyl 3,4,5-trihydroxybenzoate
InChI Key NRPKURNSADTHLJ-UHFFFAOYSA-N
Molecular Formula C15H22O5
9

Sodium n-octyl sulfate, 99%

CAS: 142-31-4 Molecular Formula: C8H17NaO4S Molecular Weight (g/mol): 232.27 MDL Number: MFCD00007470 InChI Key: WFRKJMRGXGWHBM-UHFFFAOYSA-M Synonym: sodium octyl sulfate,sodium n-octyl sulfate,sodium octyl sulphate,sipex ols,cycloryl os,duponol 80,sodium capryl sulfate,octyl sodium sulfate,sulfuric acid, monooctyl ester, sodium salt,octyl sulfate sodium salt PubChem CID: 2735107 IUPAC Name: sodium;octyl sulfate SMILES: CCCCCCCCOS(=O)(=O)[O-].[Na+]

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PubChem CID 2735107
CAS 142-31-4
Molecular Weight (g/mol) 232.27
MDL Number MFCD00007470
SMILES CCCCCCCCOS(=O)(=O)[O-].[Na+]
Synonym sodium octyl sulfate,sodium n-octyl sulfate,sodium octyl sulphate,sipex ols,cycloryl os,duponol 80,sodium capryl sulfate,octyl sodium sulfate,sulfuric acid, monooctyl ester, sodium salt,octyl sulfate sodium salt
IUPAC Name sodium;octyl sulfate
InChI Key WFRKJMRGXGWHBM-UHFFFAOYSA-M
Molecular Formula C8H17NaO4S
10

Tri-n-butyl phosphate, 98%, Thermo Scientific Chemicals

CAS: 126-73-8 Molecular Formula: C12H27O4P Molecular Weight (g/mol): 266.32 MDL Number: MFCD00009436 InChI Key: STCOOQWBFONSKY-UHFFFAOYSA-N Synonym: tri-n-butyl phosphate,tributylphosphate,butyl phosphate,phosphoric acid tributyl ester,tributylphosphat,celluphos 4,disflamoll tb,tributilfosfato,tributylfosfaat,tributyle phosphate de PubChem CID: 31357 ChEBI: CHEBI:35019 IUPAC Name: tributyl phosphate SMILES: CCCCOP(=O)(OCCCC)OCCCC

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PubChem CID 31357
CAS 126-73-8
Molecular Weight (g/mol) 266.32
ChEBI CHEBI:35019
MDL Number MFCD00009436
SMILES CCCCOP(=O)(OCCCC)OCCCC
Synonym tri-n-butyl phosphate,tributylphosphate,butyl phosphate,phosphoric acid tributyl ester,tributylphosphat,celluphos 4,disflamoll tb,tributilfosfato,tributylfosfaat,tributyle phosphate de
IUPAC Name tributyl phosphate
InChI Key STCOOQWBFONSKY-UHFFFAOYSA-N
Molecular Formula C12H27O4P
11

Benzyl bromoacetate, 97%

CAS: 5437-45-6 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00000190 InChI Key: JHVLLYQQQYIWKX-UHFFFAOYSA-N Synonym: benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate PubChem CID: 62576 IUPAC Name: benzyl 2-bromoacetate SMILES: C1=CC=C(C=C1)COC(=O)CBr

PubChem CID 62576
CAS 5437-45-6
Molecular Weight (g/mol) 229.073
MDL Number MFCD00000190
SMILES C1=CC=C(C=C1)COC(=O)CBr
Synonym benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate
IUPAC Name benzyl 2-bromoacetate
InChI Key JHVLLYQQQYIWKX-UHFFFAOYSA-N
Molecular Formula C9H9BrO2
12

Benzyl cinnamate, 99%

CAS: 103-41-3 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.29 MDL Number: MFCD00004789,MFCD00004789,MFCD00004789 InChI Key: NGHOLYJTSCBCGC-VAWYXSNFSA-N Synonym: benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z PubChem CID: 15558051 IUPAC Name: benzyl (Z)-3-phenylprop-2-enoate SMILES: O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1

PubChem CID 15558051
CAS 103-41-3
Molecular Weight (g/mol) 238.29
MDL Number MFCD00004789,MFCD00004789,MFCD00004789
SMILES O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
Synonym benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z
IUPAC Name benzyl (Z)-3-phenylprop-2-enoate
InChI Key NGHOLYJTSCBCGC-VAWYXSNFSA-N
Molecular Formula C16H14O2
13

Benzyl cyanoacetate, 97%

CAS: 14447-18-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00051719 InChI Key: RCUIWQWWDLZNMS-UHFFFAOYSA-N Synonym: benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid PubChem CID: 560818 IUPAC Name: benzyl 2-cyanoacetate SMILES: O=C(CC#N)OCC1=CC=CC=C1

PubChem CID 560818
CAS 14447-18-8
Molecular Weight (g/mol) 175.19
MDL Number MFCD00051719
SMILES O=C(CC#N)OCC1=CC=CC=C1
Synonym benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid
IUPAC Name benzyl 2-cyanoacetate
InChI Key RCUIWQWWDLZNMS-UHFFFAOYSA-N
Molecular Formula C10H9NO2
14

Benzyl chloroacetate, 98%

CAS: 140-18-1 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00157062 InChI Key: SOGXBRHOWDEKQB-UHFFFAOYSA-N Synonym: benzyl chloroacetate,benzyl monochloracetate,acetic acid, chloro-, phenylmethyl ester,chloroacetic acid, benzyl ester,monochloroacetate,chloroacetic acid benzyl ester,benzyl-alpha-chloroacetate,phenylmethyl chloroacetate,acetic acid, chloro-, benzyl ester,phenylmethyl 2-chloroacetate PubChem CID: 8786 IUPAC Name: benzyl 2-chloroacetate SMILES: C1=CC=C(C=C1)COC(=O)CCl

PubChem CID 8786
CAS 140-18-1
Molecular Weight (g/mol) 184.62
MDL Number MFCD00157062
SMILES C1=CC=C(C=C1)COC(=O)CCl
Synonym benzyl chloroacetate,benzyl monochloracetate,acetic acid, chloro-, phenylmethyl ester,chloroacetic acid, benzyl ester,monochloroacetate,chloroacetic acid benzyl ester,benzyl-alpha-chloroacetate,phenylmethyl chloroacetate,acetic acid, chloro-, benzyl ester,phenylmethyl 2-chloroacetate
IUPAC Name benzyl 2-chloroacetate
InChI Key SOGXBRHOWDEKQB-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
15

Benzyl carbazate, 98+%

CAS: 5331-43-1 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00041890 InChI Key: RXUBZLMIGSAPEJ-UHFFFAOYSA-N Synonym: benzyl carbazate,benzyl hydrazinecarboxylate,hydrazinecarboxylic acid, phenylmethyl ester,carbobenzoxyhydrazide,carbazic acid, benzyl ester,benzyloxycarbonyl hydrazide,benzylcarbazate,benzyloxy carbonyl hydrazine,n-cbz-hydrazine,unii-h7gm2h55tc PubChem CID: 79242 IUPAC Name: benzyl N-aminocarbamate SMILES: C1=CC=C(C=C1)COC(=O)NN

PubChem CID 79242
CAS 5331-43-1
Molecular Weight (g/mol) 166.18
MDL Number MFCD00041890
SMILES C1=CC=C(C=C1)COC(=O)NN
Synonym benzyl carbazate,benzyl hydrazinecarboxylate,hydrazinecarboxylic acid, phenylmethyl ester,carbobenzoxyhydrazide,carbazic acid, benzyl ester,benzyloxycarbonyl hydrazide,benzylcarbazate,benzyloxy carbonyl hydrazine,n-cbz-hydrazine,unii-h7gm2h55tc
IUPAC Name benzyl N-aminocarbamate
InChI Key RXUBZLMIGSAPEJ-UHFFFAOYSA-N
Molecular Formula C8H10N2O2