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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376 – 390 of 2,334 results

376

Ethyl indole-2-carboxylate, 97%

CAS: 3770-50-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005609 InChI Key: QQXQAEWRSVZPJM-UHFFFAOYSA-N Synonym: ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole PubChem CID: 73125 IUPAC Name: ethyl 1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1

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PubChem CID	73125
CAS	3770-50-1
Molecular Weight (g/mol)	189.21
MDL Number	MFCD00005609
SMILES	CCOC(=O)C1=CC2=CC=CC=C2N1
Synonym	ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole
IUPAC Name	ethyl 1H-indole-2-carboxylate
InChI Key	QQXQAEWRSVZPJM-UHFFFAOYSA-N
Molecular Formula	C11H11NO2

377

1-Methyl-1H-pyrazole-3-carboxylic acid, 95%, Thermo Scientific™

CAS: 25016-20-0 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00464254 InChI Key: YBFIKNNFQIBIQZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid PubChem CID: 573176 ChEBI: CHEBI:74738 IUPAC Name: 1-methylpyrazole-3-carboxylic acid SMILES: CN1C=CC(=N1)C(O)=O

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PubChem CID	573176
CAS	25016-20-0
Molecular Weight (g/mol)	126.12
ChEBI	CHEBI:74738
MDL Number	MFCD00464254
SMILES	CN1C=CC(=N1)C(O)=O
Synonym	1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid
IUPAC Name	1-methylpyrazole-3-carboxylic acid
InChI Key	YBFIKNNFQIBIQZ-UHFFFAOYSA-N
Molecular Formula	C5H6N2O2

378

Cyanoacetic acid, 97%

CAS: 372-09-8 Molecular Formula: C3H3NO2 Molecular Weight (g/mol): 85.062 MDL Number: MFCD00002677 InChI Key: MLIREBYILWEBDM-UHFFFAOYSA-N Synonym: cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova PubChem CID: 9740 ChEBI: CHEBI:51889 IUPAC Name: 2-cyanoacetic acid SMILES: C(C#N)C(=O)O

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PubChem CID	9740
CAS	372-09-8
Molecular Weight (g/mol)	85.062
ChEBI	CHEBI:51889
MDL Number	MFCD00002677
SMILES	C(C#N)C(=O)O
Synonym	cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova
IUPAC Name	2-cyanoacetic acid
InChI Key	MLIREBYILWEBDM-UHFFFAOYSA-N
Molecular Formula	C3H3NO2

379

Amyl Acetate, Mixed Isomers, BAKER ANALYZED™ Reagent, J.T. Baker™

CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 InChI Key: PGMYKACGEOXYJE-UHFFFAOYSA-N Synonym: amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether PubChem CID: 12348 ChEBI: CHEBI:87362 IUPAC Name: pentyl acetate SMILES: CCCCCOC(=O)C

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PubChem CID	12348
CAS	628-63-7
Molecular Weight (g/mol)	130.187
ChEBI	CHEBI:87362
SMILES	CCCCCOC(=O)C
Synonym	amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether
IUPAC Name	pentyl acetate
InChI Key	PGMYKACGEOXYJE-UHFFFAOYSA-N
Molecular Formula	C7H14O2

380

Isopropyl cyanoacetate, 97%

CAS: 13361-30-3 Molecular Formula: C6H9NO2 Molecular Weight (g/mol): 127.143 MDL Number: MFCD00019842 InChI Key: BESQLCCRQYTQQI-UHFFFAOYSA-N Synonym: isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph PubChem CID: 25917 IUPAC Name: propan-2-yl 2-cyanoacetate SMILES: CC(C)OC(=O)CC#N

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PubChem CID	25917
CAS	13361-30-3
Molecular Weight (g/mol)	127.143
MDL Number	MFCD00019842
SMILES	CC(C)OC(=O)CC#N
Synonym	isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph
IUPAC Name	propan-2-yl 2-cyanoacetate
InChI Key	BESQLCCRQYTQQI-UHFFFAOYSA-N
Molecular Formula	C6H9NO2

381

n-Butyl acetate, 99.5%, for biochemistry, AcroSeal™

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

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Specifications

PubChem CID	31272
CAS	123-86-4
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:31328
MDL Number	MFCD00009445
SMILES	CCCCOC(C)=O
Synonym	n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

382

Manganese(II) acetate tetrahydrate, Mn 22% (typical)

CAS: 6156-78-1 Molecular Formula: C4H14MnO8 Molecular Weight (g/mol): 245.09 MDL Number: MFCD00062552 InChI Key: CESXSDZNZGSWSP-UHFFFAOYSA-L Synonym: manganese ii acetate tetrahydrate,manganese acetate tetrahydrate,manganous acetate tetrahydrate,unii-9to51d176n,manganese diacetate, tetrahydrate,manganese 2+ diacetate tetrahydrate,acetic acid, manganese 2+ salt, tetrahydrate,manganese ii acetatetetrahydrate,acmc-20akkp PubChem CID: 93021 IUPAC Name: manganese(2+);diacetate;tetrahydrate SMILES: O.O.O.O.[Mn++].CC([O-])=O.CC([O-])=O

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Specifications

PubChem CID	93021
CAS	6156-78-1
Molecular Weight (g/mol)	245.09
MDL Number	MFCD00062552
SMILES	O.O.O.O.[Mn++].CC([O-])=O.CC([O-])=O
Synonym	manganese ii acetate tetrahydrate,manganese acetate tetrahydrate,manganous acetate tetrahydrate,unii-9to51d176n,manganese diacetate, tetrahydrate,manganese 2+ diacetate tetrahydrate,acetic acid, manganese 2+ salt, tetrahydrate,manganese ii acetatetetrahydrate,acmc-20akkp
IUPAC Name	manganese(2+);diacetate;tetrahydrate
InChI Key	CESXSDZNZGSWSP-UHFFFAOYSA-L
Molecular Formula	C4H14MnO8

383

Isobutyric anhydride, 97%

CAS: 97-72-3 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008913 InChI Key: LSACYLWPPQLVSM-UHFFFAOYSA-N Synonym: isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride PubChem CID: 7346 ChEBI: CHEBI:84261 IUPAC Name: 2-methylpropanoyl 2-methylpropanoate SMILES: CC(C)C(=O)OC(=O)C(C)C

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Specifications

PubChem CID	7346
CAS	97-72-3
Molecular Weight (g/mol)	158.197
ChEBI	CHEBI:84261
MDL Number	MFCD00008913
SMILES	CC(C)C(=O)OC(=O)C(C)C
Synonym	isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride
IUPAC Name	2-methylpropanoyl 2-methylpropanoate
InChI Key	LSACYLWPPQLVSM-UHFFFAOYSA-N
Molecular Formula	C8H14O3

384

2,2-Di-n-propylacetic acid, 98+%

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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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

385

Ethyl propionate

CAS: 105-37-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00009308 InChI Key: FKRCODPIKNYEAC-UHFFFAOYSA-N Synonym: ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester PubChem CID: 7749 ChEBI: CHEBI:41330 IUPAC Name: ethyl propanoate SMILES: CCC(=O)OCC

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PubChem CID	7749
CAS	105-37-3
Molecular Weight (g/mol)	102.133
ChEBI	CHEBI:41330
MDL Number	MFCD00009308
SMILES	CCC(=O)OCC
Synonym	ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester
IUPAC Name	ethyl propanoate
InChI Key	FKRCODPIKNYEAC-UHFFFAOYSA-N
Molecular Formula	C5H10O2

386

1-Phenylcyclopentanecarboxylic acid, 98%

CAS: 77-55-4 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00001372 InChI Key: RHPCYZLXNNRRMB-UHFFFAOYSA-N Synonym: 1-phenylcyclopentanecarboxylic acid,1-phenyl-1-cyclopentanecarboxylic acid,cyclopentanecarboxylic acid, 1-phenyl,1-phenyl-cyclopentanecarboxylic acid,1-phenylcyclopentane carboxylic acid,cyclopentanecarboxylicacid, 1-phenyl,pubchem22923,acmc-209pao,phenylcyclopentanecarboxylic acid,phenylcyclopentane carboxylic acid PubChem CID: 66167 IUPAC Name: 1-phenylcyclopentane-1-carboxylic acid SMILES: OC(=O)C1(CCCC1)C1=CC=CC=C1

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PubChem CID	66167
CAS	77-55-4
Molecular Weight (g/mol)	190.24
MDL Number	MFCD00001372
SMILES	OC(=O)C1(CCCC1)C1=CC=CC=C1
Synonym	1-phenylcyclopentanecarboxylic acid,1-phenyl-1-cyclopentanecarboxylic acid,cyclopentanecarboxylic acid, 1-phenyl,1-phenyl-cyclopentanecarboxylic acid,1-phenylcyclopentane carboxylic acid,cyclopentanecarboxylicacid, 1-phenyl,pubchem22923,acmc-209pao,phenylcyclopentanecarboxylic acid,phenylcyclopentane carboxylic acid
IUPAC Name	1-phenylcyclopentane-1-carboxylic acid
InChI Key	RHPCYZLXNNRRMB-UHFFFAOYSA-N
Molecular Formula	C12H14O2

387

Cyclohexanecarboxylic acid, 98%

CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 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)	128.171
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

388

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

389

Ethyl 2-methyl-4-pentenoate, 98%

CAS: 53399-81-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00010235 InChI Key: BDBGKYIBDXAVMX-UHFFFAOYNA-N Synonym: ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate PubChem CID: 62024 IUPAC Name: ethyl 2-methylpent-4-enoate SMILES: CCOC(=O)C(C)CC=C

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PubChem CID	62024
CAS	53399-81-8
Molecular Weight (g/mol)	142.20
MDL Number	MFCD00010235
SMILES	CCOC(=O)C(C)CC=C
Synonym	ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate
IUPAC Name	ethyl 2-methylpent-4-enoate
InChI Key	BDBGKYIBDXAVMX-UHFFFAOYNA-N
Molecular Formula	C8H14O2

390

3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid, 95%, Thermo Scientific™

CAS: 175277-11-9 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 InChI Key: SFSXXMXHJOSBAZ-UHFFFAOYSA-N Synonym: 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid PubChem CID: 720529 IUPAC Name: 5-tert-butyl-2-methylpyrazole-3-carboxylic acid SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)O)C

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Specifications

PubChem CID	720529
CAS	175277-11-9
Molecular Weight (g/mol)	182.223
SMILES	CC(C)(C)C1=NN(C(=C1)C(=O)O)C
Synonym	3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid
IUPAC Name	5-tert-butyl-2-methylpyrazole-3-carboxylic acid
InChI Key	SFSXXMXHJOSBAZ-UHFFFAOYSA-N
Molecular Formula	C9H14N2O2

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