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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2,221 – 2,235 of 2,285 results

2,221

Benzyl propionate, 99%, Thermo Scientific™

CAS: 122-63-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00027003 InChI Key: VHOMAPWVLKRQAZ-UHFFFAOYSA-N Synonym: benzyl propionate,propanoic acid, phenylmethyl ester,propionic acid, benzyl ester,phenylmethyl propanoate,propionic acid benzyl ester,phenylmethyl propionate,benzyl propionate natrual,benzyl n-propionate,fema no. 2150,propionic acid, benzyl ester 6ci,7ci,8ci PubChem CID: 31219 IUPAC Name: benzyl propanoate SMILES: CCC(=O)OCC1=CC=CC=C1

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PubChem CID	31219
CAS	122-63-4
Molecular Weight (g/mol)	164.20
MDL Number	MFCD00027003
SMILES	CCC(=O)OCC1=CC=CC=C1
Synonym	benzyl propionate,propanoic acid, phenylmethyl ester,propionic acid, benzyl ester,phenylmethyl propanoate,propionic acid benzyl ester,phenylmethyl propionate,benzyl propionate natrual,benzyl n-propionate,fema no. 2150,propionic acid, benzyl ester 6ci,7ci,8ci
IUPAC Name	benzyl propanoate
InChI Key	VHOMAPWVLKRQAZ-UHFFFAOYSA-N
Molecular Formula	C10H12O2

2,222

Ethyl 4-cyano-1H-pyrazole-5-carboxylate, 95%, Thermo Scientific Chemicals

CAS: 318497-88-0 Molecular Formula: C7H7N3O2 Molecular Weight (g/mol): 165.152 MDL Number: MFCD00664125 InChI Key: COJOZBXPRZQJLK-UHFFFAOYSA-N Synonym: ethyl 4-cyano-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 4-cyano-, ethyl ester,ethylcyanopyrazolecarboxylate,4-cyano-2h-pyrazole-3-carboxylic acid ethyl ester PubChem CID: 1479416 IUPAC Name: ethyl 4-cyano-1H-pyrazole-5-carboxylate SMILES: CCOC(=O)C1=C(C=NN1)C#N

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PubChem CID	1479416
CAS	318497-88-0
Molecular Weight (g/mol)	165.152
MDL Number	MFCD00664125
SMILES	CCOC(=O)C1=C(C=NN1)C#N
Synonym	ethyl 4-cyano-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 4-cyano-, ethyl ester,ethylcyanopyrazolecarboxylate,4-cyano-2h-pyrazole-3-carboxylic acid ethyl ester
IUPAC Name	ethyl 4-cyano-1H-pyrazole-5-carboxylate
InChI Key	COJOZBXPRZQJLK-UHFFFAOYSA-N
Molecular Formula	C7H7N3O2

2,223

MP Biomedicals, Inc βMercaptopropionic Acid, MP Biomedicals

CAS: 107-96-0 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.139 InChI Key: DKIDEFUBRARXTE-UHFFFAOYSA-N Synonym: 3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid PubChem CID: 6514 ChEBI: CHEBI:44111 IUPAC Name: 3-sulfanylpropanoic acid SMILES: C(CS)C(=O)O

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PubChem CID	6514
CAS	107-96-0
Molecular Weight (g/mol)	106.139
ChEBI	CHEBI:44111
SMILES	C(CS)C(=O)O
Synonym	3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid
IUPAC Name	3-sulfanylpropanoic acid
InChI Key	DKIDEFUBRARXTE-UHFFFAOYSA-N
Molecular Formula	C3H6O2S

2,224

Isopropyl Acetate, ≥99.6%, Solstice

CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

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PubChem CID	7915
CAS	108-21-4
Molecular Weight (g/mol)	102.133
MDL Number	MFCD00008877
SMILES	CC(C)OC(=O)C
Synonym	isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name	propan-2-yl acetate
InChI Key	JMMWKPVZQRWMSS-UHFFFAOYSA-N
Molecular Formula	C5H10O2

2,225

Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate, 98%, Thermo Scientific™

CAS: 2199-44-2 Molecular Formula: C₉H₁₃NO₂ Molecular Weight (g/mol): 167.21 MDL Number: MFCD00010645 InChI Key: IZSBSZYFPYIJDI-UHFFFAOYSA-N Synonym: 3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester,ethyl 3,5-dimethylpyrrole-2-carboxylate,ethyl 3,5-dimethyl-2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-1h-pyrrole-2-carboxylic acidethyl ester,ethyl 3,5-dimethyl-1h-pyrrole-2-carboxylate,pubchem23984,acmc-1cdc7,3,5-dimethyl-1h-pyrrole-2-carboxylicacidethylester,ksc496q7t PubChem CID: 137477 IUPAC Name: ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=C(C=C(N1)C)C

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PubChem CID	137477
CAS	2199-44-2
Molecular Weight (g/mol)	167.21
MDL Number	MFCD00010645
SMILES	CCOC(=O)C1=C(C=C(N1)C)C
Synonym	3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester,ethyl 3,5-dimethylpyrrole-2-carboxylate,ethyl 3,5-dimethyl-2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-1h-pyrrole-2-carboxylic acidethyl ester,ethyl 3,5-dimethyl-1h-pyrrole-2-carboxylate,pubchem23984,acmc-1cdc7,3,5-dimethyl-1h-pyrrole-2-carboxylicacidethylester,ksc496q7t
IUPAC Name	ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
InChI Key	IZSBSZYFPYIJDI-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃NO₂

2,226

2-Ethylhexyl cyanoacetate, 98+%, Thermo Scientific™

CAS: 13361-34-7 Molecular Formula: C11H19NO2 Molecular Weight (g/mol): 197.28 MDL Number: MFCD00019843 InChI Key: ZNYBQVBNSXLZNI-UHFFFAOYNA-N Synonym: 2-ethylhexyl cyanoacetate,acetic acid, cyano-, 2-ethylhexyl ester,cyanoacetic acid, 2-ethylhexyl ester,2-ethylhexylcyanoacetate,cyanoacetic acid octyl ester,acetic acid, 2-cyano-, 2-ethylhexyl ester,cyanoacetic acid 2-ethylhexyl ester,ehca,thcn-nva,acmc-209bt2 PubChem CID: 96359 IUPAC Name: 2-ethylhexyl 2-cyanoacetate SMILES: CCCCC(CC)COC(=O)CC#N

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PubChem CID	96359
CAS	13361-34-7
Molecular Weight (g/mol)	197.28
MDL Number	MFCD00019843
SMILES	CCCCC(CC)COC(=O)CC#N
Synonym	2-ethylhexyl cyanoacetate,acetic acid, cyano-, 2-ethylhexyl ester,cyanoacetic acid, 2-ethylhexyl ester,2-ethylhexylcyanoacetate,cyanoacetic acid octyl ester,acetic acid, 2-cyano-, 2-ethylhexyl ester,cyanoacetic acid 2-ethylhexyl ester,ehca,thcn-nva,acmc-209bt2
IUPAC Name	2-ethylhexyl 2-cyanoacetate
InChI Key	ZNYBQVBNSXLZNI-UHFFFAOYNA-N
Molecular Formula	C11H19NO2

2,227

MP Biomedicals, Inc Isobutyl Acetate, MP Biomedicals

CAS: 110-19-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008932 InChI Key: GJRQTCIYDGXPES-UHFFFAOYSA-N Synonym: isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate PubChem CID: 8038 ChEBI: CHEBI:50569 IUPAC Name: 2-methylpropyl acetate SMILES: CC(C)COC(C)=O

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PubChem CID	8038
CAS	110-19-0
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:50569
MDL Number	MFCD00008932
SMILES	CC(C)COC(C)=O
Synonym	isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate
IUPAC Name	2-methylpropyl acetate
InChI Key	GJRQTCIYDGXPES-UHFFFAOYSA-N
Molecular Formula	C6H12O2

2,228

Thermo Scientific Chemicals Ethyl DL-2-hydroxycaproate, 97%, Thermo Scientific™

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2,229

MP Biomedicals, Inc Cyclohexyl Acetate, MP Biomedicals

CAS: 622-45-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 InChI Key: YYLLIJHXUHJATK-UHFFFAOYSA-N Synonym: acetic acid, cyclohexyl ester,hexalin acetate,cyclohexanyl acetate,cyclohexanol, acetate,cyclohexanolazetat,adronal acetate,acetic acid cyclohexyl ester,cyclohexane acetate,cyclohexylester kyseliny octove,unii-ul0rs4h1ue PubChem CID: 12146 ChEBI: CHEBI:31447 IUPAC Name: cyclohexyl acetate SMILES: CC(=O)OC1CCCCC1

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Specifications

PubChem CID	12146
CAS	622-45-7
Molecular Weight (g/mol)	142.198
ChEBI	CHEBI:31447
SMILES	CC(=O)OC1CCCCC1
Synonym	acetic acid, cyclohexyl ester,hexalin acetate,cyclohexanyl acetate,cyclohexanol, acetate,cyclohexanolazetat,adronal acetate,acetic acid cyclohexyl ester,cyclohexane acetate,cyclohexylester kyseliny octove,unii-ul0rs4h1ue
IUPAC Name	cyclohexyl acetate
InChI Key	YYLLIJHXUHJATK-UHFFFAOYSA-N
Molecular Formula	C8H14O2

2,230

MP Biomedicals, Inc tert-Butyl Acetate, MP Biomedicals

CAS: 540-88-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 InChI Key: WMOVHXAZOJBABW-UHFFFAOYSA-N Synonym: t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate PubChem CID: 10908 IUPAC Name: tert-butyl acetate SMILES: CC(=O)OC(C)(C)C

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PubChem CID	10908
CAS	540-88-5
Molecular Weight (g/mol)	116.16
SMILES	CC(=O)OC(C)(C)C
Synonym	t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate
IUPAC Name	tert-butyl acetate
InChI Key	WMOVHXAZOJBABW-UHFFFAOYSA-N
Molecular Formula	C6H12O2

2,231

Trifluoroacetic Acid 2,2,2-trifluoroethylester 99+%, Thermo Scientific™

CAS: 407-38-5 Molecular Formula: C4H2F6O2 Molecular Weight (g/mol): 196.05 MDL Number: MFCD00000418 InChI Key: ZKUJOCJJXCPCFS-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate PubChem CID: 67888 IUPAC Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)COC(=O)C(F)(F)F

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PubChem CID	67888
CAS	407-38-5
Molecular Weight (g/mol)	196.05
MDL Number	MFCD00000418
SMILES	FC(F)(F)COC(=O)C(F)(F)F
Synonym	2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate
IUPAC Name	2,2,2-trifluoroethyl 2,2,2-trifluoroacetate
InChI Key	ZKUJOCJJXCPCFS-UHFFFAOYSA-N
Molecular Formula	C4H2F6O2

2,232

Ethyl 2-cyanobutyrate, 97%, Thermo Scientific™

CAS: 1619-58-5 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD02258598 InChI Key: FCISHUHNFYJJDU-UHFFFAOYSA-N Synonym: ethyl2-cyanobutanoate,butanoic acid, 2-cyano-, ethyl ester,ethyl 2-cyanobutyrate,ksc531a2r,2-cyanobutyric acid ethyl ester,2-cyanobutanoic acid ethyl ester,2-cyano-butyric acid ethyl ester,butanoic acid,2-cyano-, ethyl ester,2-cyanobutyric acid, ethyl ester PubChem CID: 219611 IUPAC Name: ethyl 2-cyanobutanoate SMILES: CCC(C#N)C(=O)OCC

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PubChem CID	219611
CAS	1619-58-5
Molecular Weight (g/mol)	141.17
MDL Number	MFCD02258598
SMILES	CCC(C#N)C(=O)OCC
Synonym	ethyl2-cyanobutanoate,butanoic acid, 2-cyano-, ethyl ester,ethyl 2-cyanobutyrate,ksc531a2r,2-cyanobutyric acid ethyl ester,2-cyanobutanoic acid ethyl ester,2-cyano-butyric acid ethyl ester,butanoic acid,2-cyano-, ethyl ester,2-cyanobutyric acid, ethyl ester
IUPAC Name	ethyl 2-cyanobutanoate
InChI Key	FCISHUHNFYJJDU-UHFFFAOYSA-N
Molecular Formula	C7H11NO2

2,233

MP Biomedicals, Inc Isopropyl Formate, MP Biomedicals

CAS: 625-55-8 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00014127 InChI Key: RMOUBSOVHSONPZ-UHFFFAOYSA-N Synonym: isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 PubChem CID: 12257 IUPAC Name: propan-2-yl formate SMILES: CC(C)OC=O

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PubChem CID	12257
CAS	625-55-8
Molecular Weight (g/mol)	88.11
MDL Number	MFCD00014127
SMILES	CC(C)OC=O
Synonym	isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2
IUPAC Name	propan-2-yl formate
InChI Key	RMOUBSOVHSONPZ-UHFFFAOYSA-N
Molecular Formula	C4H8O2

2,234

MP Biomedicals, Inc Hexyl Formate, MP Biomedicals

CAS: 629-33-4 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 InChI Key: OUGPMNMLWKSBRI-UHFFFAOYSA-N Synonym: n-hexyl formate,formic acid, hexyl ester,n-hexyl methanoate,hexyl methanoate,formic acid hexyl ester,hexyl formiate,unii-9gpu7pgv1g,fema no. 2570,9gpu7pgv1g,hexylformate PubChem CID: 61177 IUPAC Name: hexyl formate SMILES: CCCCCCOC=O

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PubChem CID	61177
CAS	629-33-4
Molecular Weight (g/mol)	130.187
SMILES	CCCCCCOC=O
Synonym	n-hexyl formate,formic acid, hexyl ester,n-hexyl methanoate,hexyl methanoate,formic acid hexyl ester,hexyl formiate,unii-9gpu7pgv1g,fema no. 2570,9gpu7pgv1g,hexylformate
IUPAC Name	hexyl formate
InChI Key	OUGPMNMLWKSBRI-UHFFFAOYSA-N
Molecular Formula	C7H14O2

2,235

(R)-(-)-2-Hydroxy-4-phenylbutyric acid, 97%

CAS: 29678-81-7 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00192219 InChI Key: JNJCEALGCZSIGB-SECBINFHSA-N PubChem CID: 2759328 IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCC(C(=O)O)O

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Specifications

PubChem CID	2759328
CAS	29678-81-7
Molecular Weight (g/mol)	180.203
MDL Number	MFCD00192219
SMILES	C1=CC=C(C=C1)CCC(C(=O)O)O
IUPAC Name	(2R)-2-hydroxy-4-phenylbutanoic acid
InChI Key	JNJCEALGCZSIGB-SECBINFHSA-N
Molecular Formula	C10H12O3

Monocarboxylic acids and derivatives

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