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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301 – 315 of 2,352 results

301

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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

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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

302

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Cyclohexanecarboxylic acid, 98%

CAS: 98-89-5 Molecular Formula: C₇H₁₂O₂ Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O

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PubChem CID	7413
CAS	98-89-5
Molecular Weight (g/mol)	128.17
ChEBI	CHEBI:36096
MDL Number	MFCD00001461
SMILES	C1CCC(CC1)C(=O)O
Synonym	hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid
IUPAC Name	cyclohexanecarboxylic acid
InChI Key	NZNMSOFKMUBTKW-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O₂

303

Ethyl 1-methyl-3-thien-2-yl-1H-pyrazole-5-carboxylate, 97%, Thermo Scientific™

CAS: 868755-61-7 Molecular Formula: C11H12N2O2S Molecular Weight (g/mol): 236.29 MDL Number: MFCD08060537 InChI Key: MUIUODSZPZJMMP-UHFFFAOYSA-N Synonym: ethyl 1-methyl-3-thien-2-yl-1h-pyrazole-5-carboxylate,ethyl 2-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-3-2-thienyl pyrazole-5-carboxylate,ethyl 1-methyl-3-thiophen-2-yl-1h-pyrazole-5-carboxylate,1h-pyrazole-5-carboxylicacid,1-methyl-3-2-thienyl-,ethyl ester,1h-pyrazole-5-carboxylicacid, 1-methyl-3-2-thienyl-, ethyl ester PubChem CID: 7537652 IUPAC Name: ethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate SMILES: CCOC(=O)C1=CC(=NN1C)C1=CC=CS1

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Specifications

PubChem CID	7537652
CAS	868755-61-7
Molecular Weight (g/mol)	236.29
MDL Number	MFCD08060537
SMILES	CCOC(=O)C1=CC(=NN1C)C1=CC=CS1
Synonym	ethyl 1-methyl-3-thien-2-yl-1h-pyrazole-5-carboxylate,ethyl 2-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-3-2-thienyl pyrazole-5-carboxylate,ethyl 1-methyl-3-thiophen-2-yl-1h-pyrazole-5-carboxylate,1h-pyrazole-5-carboxylicacid,1-methyl-3-2-thienyl-,ethyl ester,1h-pyrazole-5-carboxylicacid, 1-methyl-3-2-thienyl-, ethyl ester
IUPAC Name	ethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate
InChI Key	MUIUODSZPZJMMP-UHFFFAOYSA-N
Molecular Formula	C11H12N2O2S

304

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Ethyl nonanoate, 97%

CAS: 123-29-5 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00009570 InChI Key: BYEVBITUADOIGY-UHFFFAOYSA-N Synonym: ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester PubChem CID: 31251 ChEBI: CHEBI:87501 IUPAC Name: ethyl nonanoate SMILES: CCCCCCCCC(=O)OCC

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PubChem CID	31251
CAS	123-29-5
Molecular Weight (g/mol)	186.30
ChEBI	CHEBI:87501
MDL Number	MFCD00009570
SMILES	CCCCCCCCC(=O)OCC
Synonym	ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester
IUPAC Name	ethyl nonanoate
InChI Key	BYEVBITUADOIGY-UHFFFAOYSA-N
Molecular Formula	C11H22O2

305

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Ethyl cyanoformate, 99%

CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N

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Specifications

PubChem CID	69336
CAS	623-49-4
Molecular Weight (g/mol)	99.09
MDL Number	MFCD00001836
SMILES	CCOC(=O)C#N
Synonym	carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate
IUPAC Name	ethyl cyanoformate
InChI Key	MSMGXWFHBSCQFB-UHFFFAOYSA-N
Molecular Formula	C4H5NO2

306

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n-Butyl levulinate, 98%

CAS: 2052-15-5 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00009449 InChI Key: ISBWNEKJSSLXOD-UHFFFAOYSA-N Synonym: butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate PubChem CID: 16331 IUPAC Name: butyl 4-oxopentanoate SMILES: CCCCOC(=O)CCC(=O)C

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Specifications

PubChem CID	16331
CAS	2052-15-5
Molecular Weight (g/mol)	172.224
MDL Number	MFCD00009449
SMILES	CCCCOC(=O)CCC(=O)C
Synonym	butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate
IUPAC Name	butyl 4-oxopentanoate
InChI Key	ISBWNEKJSSLXOD-UHFFFAOYSA-N
Molecular Formula	C9H16O3

307

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1H-Pyrazole-3-carboxylic acid, 97%

CAS: 1621-91-6 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00077436 InChI Key: KOPFEFZSAMLEHK-UHFFFAOYSA-N Synonym: 1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid PubChem CID: 574310 IUPAC Name: 1H-pyrazole-5-carboxylic acid SMILES: OC(=O)C1=CC=NN1

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Specifications

PubChem CID	574310
CAS	1621-91-6
Molecular Weight (g/mol)	112.09
MDL Number	MFCD00077436
SMILES	OC(=O)C1=CC=NN1
Synonym	1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid
IUPAC Name	1H-pyrazole-5-carboxylic acid
InChI Key	KOPFEFZSAMLEHK-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

308

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3-(1-Naphthyl)propionic acid, 96%

CAS: 3243-42-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00033058 InChI Key: PRLKVVMRQFFIOQ-UHFFFAOYSA-N Synonym: 3-1-naphthyl propionic acid,3-naphthalen-1-yl propanoic acid,1-naphthalenepropanoic acid,1-naphthalenepropionic acid,3-1-naphthyl-propionic acid,3-1-naphthyl propanoic acid,3-naphth-1-yl propanoic acid,3-naphthalen-1-yl-propionic acid,1-naphthalenepropanoicacid,3-naphthylpropanoic acid PubChem CID: 95254 IUPAC Name: 3-naphthalen-1-ylpropanoic acid SMILES: OC(=O)CCC1=C2C=CC=CC2=CC=C1

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Specifications

PubChem CID	95254
CAS	3243-42-3
Molecular Weight (g/mol)	200.24
MDL Number	MFCD00033058
SMILES	OC(=O)CCC1=C2C=CC=CC2=CC=C1
Synonym	3-1-naphthyl propionic acid,3-naphthalen-1-yl propanoic acid,1-naphthalenepropanoic acid,1-naphthalenepropionic acid,3-1-naphthyl-propionic acid,3-1-naphthyl propanoic acid,3-naphth-1-yl propanoic acid,3-naphthalen-1-yl-propionic acid,1-naphthalenepropanoicacid,3-naphthylpropanoic acid
IUPAC Name	3-naphthalen-1-ylpropanoic acid
InChI Key	PRLKVVMRQFFIOQ-UHFFFAOYSA-N
Molecular Formula	C13H12O2

309

1H-Imidazole-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 16042-25-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 InChI Key: KYWMCFOWDYFYLV-UHFFFAOYSA-N Synonym: 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole PubChem CID: 574321 IUPAC Name: 1H-imidazole-2-carboxylic acid SMILES: C1=CN=C(N1)C(=O)O

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PubChem CID	574321
CAS	16042-25-4
Molecular Weight (g/mol)	112.088
SMILES	C1=CN=C(N1)C(=O)O
Synonym	2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole
IUPAC Name	1H-imidazole-2-carboxylic acid
InChI Key	KYWMCFOWDYFYLV-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

310

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

311

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Amyl Acetate, 98%, Spectrum™ Chemical

CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 InChI Key: PGMYKACGEOXYJE-UHFFFAOYSA-N IUPAC Name: pentyl acetate SMILES: CCCCCOC(C)=O

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Specifications

CAS	628-63-7
Molecular Weight (g/mol)	130.19
SMILES	CCCCCOC(C)=O
IUPAC Name	pentyl acetate
InChI Key	PGMYKACGEOXYJE-UHFFFAOYSA-N
Molecular Formula	C7H14O2

312

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Cyclohexaneacetic acid, 98%

CAS: 5292-21-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001518 InChI Key: LJOODBDWMQKMFB-UHFFFAOYSA-N Synonym: cyclohexylacetic acid,cyclohexaneacetic acid,cyclohexylethanoic acid,hexahydrophenylacetic acid,cyclohexyl acetic acid,unii-v43k3to0hn,fema no. 2347,cyclohexane-acetic acid,v43k3to0hn,cyclo-hexylacetic acid PubChem CID: 21363 ChEBI: CHEBI:37277 IUPAC Name: 2-cyclohexylacetic acid SMILES: OC(=O)CC1CCCCC1

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Specifications

PubChem CID	21363
CAS	5292-21-7
Molecular Weight (g/mol)	142.20
ChEBI	CHEBI:37277
MDL Number	MFCD00001518
SMILES	OC(=O)CC1CCCCC1
Synonym	cyclohexylacetic acid,cyclohexaneacetic acid,cyclohexylethanoic acid,hexahydrophenylacetic acid,cyclohexyl acetic acid,unii-v43k3to0hn,fema no. 2347,cyclohexane-acetic acid,v43k3to0hn,cyclo-hexylacetic acid
IUPAC Name	2-cyclohexylacetic acid
InChI Key	LJOODBDWMQKMFB-UHFFFAOYSA-N
Molecular Formula	C8H14O2

313

2-Keto-D-gluconic acid, hemicalcium salt monohydrate, >98%, MP Biomedicals™

CAS: 3470-37-9 Molecular Formula: C12H20CaO14 Molecular Weight (g/mol): 428.356 MDL Number: MFCD00149104 InChI Key: QACANIDDQFGAJU-JQTJLMCZSA-N Synonym: calcium 2-keto-d-gluconate PubChem CID: 131852723 IUPAC Name: calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid SMILES: C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca]

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PubChem CID	131852723
CAS	3470-37-9
Molecular Weight (g/mol)	428.356
MDL Number	MFCD00149104
SMILES	C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca]
Synonym	calcium 2-keto-d-gluconate
IUPAC Name	calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
InChI Key	QACANIDDQFGAJU-JQTJLMCZSA-N
Molecular Formula	C12H20CaO14

314

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tert-Butylacetic Acid, 98%

CAS: 1070-83-3 Molecular Formula: C₆H₁₂O₂ Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002715 InChI Key: MLMQPDHYNJCQAO-UHFFFAOYSA-N Synonym: 3,3-dimethylbutyric acid,tert-butylacetic acid,t-butylacetic acid,butanoic acid, 3,3-dimethyl,3,3-dimethyl-butanoic acid,unii-q80k0tzq55,butyric acid, 3,3-dimethyl,3,3-dimethyl-butyric acid,3,3-dimethyl-n-butyric acid,tert-butyric acid PubChem CID: 14057 ChEBI: CHEBI:38647 IUPAC Name: 3,3-dimethylbutanoic acid SMILES: CC(C)(C)CC(=O)O

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PubChem CID	14057
CAS	1070-83-3
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:38647
MDL Number	MFCD00002715
SMILES	CC(C)(C)CC(=O)O
Synonym	3,3-dimethylbutyric acid,tert-butylacetic acid,t-butylacetic acid,butanoic acid, 3,3-dimethyl,3,3-dimethyl-butanoic acid,unii-q80k0tzq55,butyric acid, 3,3-dimethyl,3,3-dimethyl-butyric acid,3,3-dimethyl-n-butyric acid,tert-butyric acid
IUPAC Name	3,3-dimethylbutanoic acid
InChI Key	MLMQPDHYNJCQAO-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂O₂

315

2-Keto-D-gluconic acid hemicalcium salt monohydrate, 99%

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Specifications

PubChem CID	131852723
CAS	3470-37-9
Molecular Weight (g/mol)	428.356
MDL Number	MFCD00149104
SMILES	C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca]
Synonym	calcium 2-keto-d-gluconate
IUPAC Name	calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
InChI Key	QACANIDDQFGAJU-JQTJLMCZSA-N
Molecular Formula	C12H20CaO14

Monocarboxylic acids and derivatives

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