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Carboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to an organic functional group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from carboxylic acids.
Monocarboxylic acids and derivatives (80)
Carboxylic acid amides (36)
Carboxylic acid esters (34)
Carboxylic acid hydrazides (10)
Carboxylic acid imides (7)

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1 – 15 of 74 results
1

Methyl propiolate, 97%, Thermo Scientific™

CAS: 922-67-8 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.074 MDL Number: MFCD00008572 InChI Key: IMAKHNTVDGLIRY-UHFFFAOYSA-N Synonym: methyl propiolate,methyl propynoate,2-propynoic acid, methyl ester,propiolic acid, methyl ester,methyl acetylenecarboxylate,methyl ethynecarboxylate,propynoic acid, methyl ester,propynoic acid methyl ester,methyl propargylate,acetylenecarboxylic acid methyl ester PubChem CID: 13536 IUPAC Name: methyl prop-2-ynoate SMILES: COC(=O)C#C

PubChem CID 13536
CAS 922-67-8
Molecular Weight (g/mol) 84.074
MDL Number MFCD00008572
SMILES COC(=O)C#C
Synonym methyl propiolate,methyl propynoate,2-propynoic acid, methyl ester,propiolic acid, methyl ester,methyl acetylenecarboxylate,methyl ethynecarboxylate,propynoic acid, methyl ester,propynoic acid methyl ester,methyl propargylate,acetylenecarboxylic acid methyl ester
IUPAC Name methyl prop-2-ynoate
InChI Key IMAKHNTVDGLIRY-UHFFFAOYSA-N
Molecular Formula C4H4O2
2

5-Bromooxindole, 97%, Thermo Scientific™

CAS: 20870-78-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 InChI Key: VIMNAEVMZXIKFL-UHFFFAOYSA-N Synonym: 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one PubChem CID: 611193 IUPAC Name: 5-bromo-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)Br)NC1=O

PubChem CID 611193
CAS 20870-78-4
Molecular Weight (g/mol) 212.046
SMILES C1C2=C(C=CC(=C2)Br)NC1=O
Synonym 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one
IUPAC Name 5-bromo-1,3-dihydroindol-2-one
InChI Key VIMNAEVMZXIKFL-UHFFFAOYSA-N
Molecular Formula C8H6BrNO
3

Methyle3-cyanobenzoate, 95%, Thermo Scientific™

CAS: 13531-48-1 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00220156 InChI Key: XPBHWSMZTSSEJE-UHFFFAOYSA-N Synonym: methyl m-cyanobenzoate,benzoic acid, 3-cyano-, methyl ester,3-cyanobenzoic acid methyl ester,methyl-3-cyanobenzoate,methyl3-cyanobenzoate,pubchem21088,acmc-1burk,intermediates-zcf02042,ksc180c9j,3-cn-c6h4-cooch3 PubChem CID: 83554 IUPAC Name: methyl 3-cyanobenzoate SMILES: COC(=O)C1=CC=CC(=C1)C#N

PubChem CID 83554
CAS 13531-48-1
Molecular Weight (g/mol) 161.16
MDL Number MFCD00220156
SMILES COC(=O)C1=CC=CC(=C1)C#N
Synonym methyl m-cyanobenzoate,benzoic acid, 3-cyano-, methyl ester,3-cyanobenzoic acid methyl ester,methyl-3-cyanobenzoate,methyl3-cyanobenzoate,pubchem21088,acmc-1burk,intermediates-zcf02042,ksc180c9j,3-cn-c6h4-cooch3
IUPAC Name methyl 3-cyanobenzoate
InChI Key XPBHWSMZTSSEJE-UHFFFAOYSA-N
Molecular Formula C9H7NO2
4

3-Methylbutanamide, 97%, Thermo Scientific™

CAS: 541-46-8 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00014807 InChI Key: SANOUVWGPVYVAV-UHFFFAOYSA-N Synonym: isovaleramide,butanamide, 3-methyl,3-methylbutyramide,isovaleric amide,isopentanamide,beta-methylbutyramide,isovaleric acid amide,unii-9cp4kb634m,isovaleramide usan,.beta.-methylbutyramide PubChem CID: 10930 IUPAC Name: 3-methylbutanamide SMILES: CC(C)CC(=O)N

PubChem CID 10930
CAS 541-46-8
Molecular Weight (g/mol) 101.149
MDL Number MFCD00014807
SMILES CC(C)CC(=O)N
Synonym isovaleramide,butanamide, 3-methyl,3-methylbutyramide,isovaleric amide,isopentanamide,beta-methylbutyramide,isovaleric acid amide,unii-9cp4kb634m,isovaleramide usan,.beta.-methylbutyramide
IUPAC Name 3-methylbutanamide
InChI Key SANOUVWGPVYVAV-UHFFFAOYSA-N
Molecular Formula C5H11NO
5

N1-(4-pyridyl)benzamide, Thermo Scientific™

CAS: 5221-44-3 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.225 MDL Number: MFCD00160355 InChI Key: PNWVOLKZHJEWQU-UHFFFAOYSA-N Synonym: n-pyridin-4-yl benzamide,4-benzamidopyridine,n1-4-pyridyl benzamide,n-4-pyridylbenzamide,4-benzoylaminopyridine,pyridine, 4-benzamido,n-4-pyridyl benzamide,benzamide, n-4-pyridinyl-9ci,n-benzoyl-4-aminopyridine,phenyl-n-4-pyridyl carboxamide PubChem CID: 78893 IUPAC Name: N-pyridin-4-ylbenzamide SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2

PubChem CID 78893
CAS 5221-44-3
Molecular Weight (g/mol) 198.225
MDL Number MFCD00160355
SMILES C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2
Synonym n-pyridin-4-yl benzamide,4-benzamidopyridine,n1-4-pyridyl benzamide,n-4-pyridylbenzamide,4-benzoylaminopyridine,pyridine, 4-benzamido,n-4-pyridyl benzamide,benzamide, n-4-pyridinyl-9ci,n-benzoyl-4-aminopyridine,phenyl-n-4-pyridyl carboxamide
IUPAC Name N-pyridin-4-ylbenzamide
InChI Key PNWVOLKZHJEWQU-UHFFFAOYSA-N
Molecular Formula C12H10N2O
6

Methyle4-(trifluoromethoxy)benzoate, 97%, Thermo Scientific™

CAS: 780-31-4 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.147 MDL Number: MFCD00041006 InChI Key: JFFLBWZTJAWGNP-UHFFFAOYSA-N PubChem CID: 737353 IUPAC Name: methyl 4-(trifluoromethoxy)benzoate SMILES: COC(=O)C1=CC=C(C=C1)OC(F)(F)F

PubChem CID 737353
CAS 780-31-4
Molecular Weight (g/mol) 220.147
MDL Number MFCD00041006
SMILES COC(=O)C1=CC=C(C=C1)OC(F)(F)F
IUPAC Name methyl 4-(trifluoromethoxy)benzoate
InChI Key JFFLBWZTJAWGNP-UHFFFAOYSA-N
Molecular Formula C9H7F3O3
7

Adamantane-1-carbohydrazide, 97%, Thermo Scientific™

CAS: 17846-15-0 Molecular Formula: C11H18N2O Molecular Weight (g/mol): 194.278 InChI Key: FJXQVRADKYKERU-UHFFFAOYSA-N Synonym: adamantanecarbohydrazide,1-adamantanecarbohydrazide,adamantane-1-carboxylic acid hydrazide,tricyclo 3.3.1.1∼3,7∼ decane-1-carbohydrazide,tricyclo 3.3.1.13,7 decane-1-carboxylic acid, hydrazide,pubchem21688,hydrazino 1-adamantyl ketone,3r,5r,7r-adamantane-1-carbohydrazide,z-adamantane-1-carbohydrazonic acid,3r,5s,7s-adamantane-1-carbohydrazide PubChem CID: 337203 IUPAC Name: adamantane-1-carbohydrazide SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)NN

PubChem CID 337203
CAS 17846-15-0
Molecular Weight (g/mol) 194.278
SMILES C1C2CC3CC1CC(C2)(C3)C(=O)NN
Synonym adamantanecarbohydrazide,1-adamantanecarbohydrazide,adamantane-1-carboxylic acid hydrazide,tricyclo 3.3.1.1∼3,7∼ decane-1-carbohydrazide,tricyclo 3.3.1.13,7 decane-1-carboxylic acid, hydrazide,pubchem21688,hydrazino 1-adamantyl ketone,3r,5r,7r-adamantane-1-carbohydrazide,z-adamantane-1-carbohydrazonic acid,3r,5s,7s-adamantane-1-carbohydrazide
IUPAC Name adamantane-1-carbohydrazide
InChI Key FJXQVRADKYKERU-UHFFFAOYSA-N
Molecular Formula C11H18N2O
8

Methylequinoxaline-6-carboxylate, 97%, Thermo Scientific™

CAS: 23088-23-5 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00102618 InChI Key: VFPWJISMXACHIG-UHFFFAOYSA-N Synonym: methyl 6-quinoxalinecarboxylate,6-quinoxalinecarboxylic acid, methyl ester,maybridge1_006081,acmc-1cnh9,methyl6-quinoxalinecarboxylate,methyl quinoxaline-7-carboxylate,6-quinoxalinecarboxylic acid methyl ester,6-quinoxalinecarboxylicacid, methyl ester,6-quinoxalinecarboxylic acid methyl ester; PubChem CID: 2781239 IUPAC Name: methyl quinoxaline-6-carboxylate SMILES: COC(=O)C1=CC=C2N=CC=NC2=C1

PubChem CID 2781239
CAS 23088-23-5
Molecular Weight (g/mol) 188.19
MDL Number MFCD00102618
SMILES COC(=O)C1=CC=C2N=CC=NC2=C1
Synonym methyl 6-quinoxalinecarboxylate,6-quinoxalinecarboxylic acid, methyl ester,maybridge1_006081,acmc-1cnh9,methyl6-quinoxalinecarboxylate,methyl quinoxaline-7-carboxylate,6-quinoxalinecarboxylic acid methyl ester,6-quinoxalinecarboxylicacid, methyl ester,6-quinoxalinecarboxylic acid methyl ester;
IUPAC Name methyl quinoxaline-6-carboxylate
InChI Key VFPWJISMXACHIG-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
9

6-Quinoxalinecarboxylic acid, 95%, Thermo Scientific™

CAS: 6925-00-4 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 InChI Key: JGQDBVXRYDEWGM-UHFFFAOYSA-N Synonym: 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid PubChem CID: 674813 IUPAC Name: quinoxaline-6-carboxylic acid SMILES: C1=CC2=NC=CN=C2C=C1C(=O)O

PubChem CID 674813
CAS 6925-00-4
Molecular Weight (g/mol) 174.159
SMILES C1=CC2=NC=CN=C2C=C1C(=O)O
Synonym 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid
IUPAC Name quinoxaline-6-carboxylic acid
InChI Key JGQDBVXRYDEWGM-UHFFFAOYSA-N
Molecular Formula C9H6N2O2
10

Methyle4-methoxythiophene-3-carboxylate, 97%, Thermo Scientific™

CAS: 65369-22-4 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.198 MDL Number: MFCD00067995 InChI Key: LQIVVUILGDRRHE-UHFFFAOYSA-N Synonym: methyl 4-methoxy-3-thiophenecarboxylate,4-methoxy-thiophene-3-carboxylic acid methyl ester,3-thiophenecarboxylic acid, 4-methoxy-, methyl ester,maybridge1_004625,ksc495s3h,methyl 4-methoxythiophene-3-arboxylate,3-methoxythiophene-4-carboxylic acid methyl ester,3-thiophenecarboxylicacid,4-methoxy-,methyl ester,4-methoxy-3-thiophenecarboxylic acid methyl ester,3-thiophenecarboxylicacid, 4-methoxy-, methyl ester PubChem CID: 2778377 IUPAC Name: methyl 4-methoxythiophene-3-carboxylate SMILES: COC1=CSC=C1C(=O)OC

PubChem CID 2778377
CAS 65369-22-4
Molecular Weight (g/mol) 172.198
MDL Number MFCD00067995
SMILES COC1=CSC=C1C(=O)OC
Synonym methyl 4-methoxy-3-thiophenecarboxylate,4-methoxy-thiophene-3-carboxylic acid methyl ester,3-thiophenecarboxylic acid, 4-methoxy-, methyl ester,maybridge1_004625,ksc495s3h,methyl 4-methoxythiophene-3-arboxylate,3-methoxythiophene-4-carboxylic acid methyl ester,3-thiophenecarboxylicacid,4-methoxy-,methyl ester,4-methoxy-3-thiophenecarboxylic acid methyl ester,3-thiophenecarboxylicacid, 4-methoxy-, methyl ester
IUPAC Name methyl 4-methoxythiophene-3-carboxylate
InChI Key LQIVVUILGDRRHE-UHFFFAOYSA-N
Molecular Formula C7H8O3S
11

Methyle1H-benzimidazole-5-carboxylate, 97%, Thermo Scientific™

CAS: 26663-77-4 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD03407310 InChI Key: WJHHIVYNOVTVGY-UHFFFAOYSA-N Synonym: methyl benzimidazole-5-carboxylate,methyl 1h-benzimidazole-5-carboxylate,methyl 1h-benzo d imidazole-5-carboxylate,methyl 1h-1,3-benzodiazole-5-carboxylate,1h-benzimidazole-5-carboxylicacidmethylester,1h-benzimidazole-5-carboxylic acid methyl ester,methyl 1h-benzo d imidazole-6-carboxylate,benzimidazole-5-carboxylic acid methyl ester,1h-benzoimidazole-5-carboxylic acid methyl ester,1h-benzimidazole-5-carboxylic acid, methyl ester PubChem CID: 2779733 IUPAC Name: methyl 3H-benzimidazole-5-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)N=CN2

PubChem CID 2779733
CAS 26663-77-4
Molecular Weight (g/mol) 176.175
MDL Number MFCD03407310
SMILES COC(=O)C1=CC2=C(C=C1)N=CN2
Synonym methyl benzimidazole-5-carboxylate,methyl 1h-benzimidazole-5-carboxylate,methyl 1h-benzo d imidazole-5-carboxylate,methyl 1h-1,3-benzodiazole-5-carboxylate,1h-benzimidazole-5-carboxylicacidmethylester,1h-benzimidazole-5-carboxylic acid methyl ester,methyl 1h-benzo d imidazole-6-carboxylate,benzimidazole-5-carboxylic acid methyl ester,1h-benzoimidazole-5-carboxylic acid methyl ester,1h-benzimidazole-5-carboxylic acid, methyl ester
IUPAC Name methyl 3H-benzimidazole-5-carboxylate
InChI Key WJHHIVYNOVTVGY-UHFFFAOYSA-N
Molecular Formula C9H8N2O2
12

3-Methylbut-2-enyl formate, Thermo Scientific™

CAS: 68480-28-4 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00036614 InChI Key: ZCROFVOAWLRGFY-UHFFFAOYSA-N Synonym: prenyl formate,2-buten-1-ol, 3-methyl-, formate,unii-77xfk1mol6,2-buten-1-ol, 3-methyl-, 1-formate,3-methylbut-2-en-1-yl formate,77xfk1mol6,formic acid, 3-methyl-2-butenyl ester,prenylformiat,3-methyl but-2-enyl formate,3-methyl-2-butenyl formate # PubChem CID: 110373 SMILES: CC(C)=CCOC=O

PubChem CID 110373
CAS 68480-28-4
Molecular Weight (g/mol) 114.14
MDL Number MFCD00036614
SMILES CC(C)=CCOC=O
Synonym prenyl formate,2-buten-1-ol, 3-methyl-, formate,unii-77xfk1mol6,2-buten-1-ol, 3-methyl-, 1-formate,3-methylbut-2-en-1-yl formate,77xfk1mol6,formic acid, 3-methyl-2-butenyl ester,prenylformiat,3-methyl but-2-enyl formate,3-methyl-2-butenyl formate #
InChI Key ZCROFVOAWLRGFY-UHFFFAOYSA-N
Molecular Formula C6H10O2
13

2-Chloro-6-methylnicotinamide, ≥95%, Thermo Scientific™

CAS: 54957-84-5 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.596 MDL Number: MFCD00173783 InChI Key: QFRWKKWOCPTEKS-UHFFFAOYSA-N Synonym: 2-chloro-6-methylnicotinamide,3-pyridinecarboxamide,2-chloro-6-methyl,2-chloro-6-methyl-3-pyridinecarboxamide,2-chloro-6-methylincotinamide,6-methyl-2-chloronicotinamide PubChem CID: 2799581 IUPAC Name: 2-chloro-6-methylpyridine-3-carboxamide SMILES: CC1=NC(=C(C=C1)C(=O)N)Cl

PubChem CID 2799581
CAS 54957-84-5
Molecular Weight (g/mol) 170.596
MDL Number MFCD00173783
SMILES CC1=NC(=C(C=C1)C(=O)N)Cl
Synonym 2-chloro-6-methylnicotinamide,3-pyridinecarboxamide,2-chloro-6-methyl,2-chloro-6-methyl-3-pyridinecarboxamide,2-chloro-6-methylincotinamide,6-methyl-2-chloronicotinamide
IUPAC Name 2-chloro-6-methylpyridine-3-carboxamide
InChI Key QFRWKKWOCPTEKS-UHFFFAOYSA-N
Molecular Formula C7H7ClN2O
14

3,5,7-Trimethyladamantane-1-carboxylic acid, 97%, Thermo Scientific™

CAS: 15291-66-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00187581 InChI Key: DHIIUPVOLLOORM-UHFFFAOYSA-N Synonym: 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl PubChem CID: 2802268 IUPAC Name: 3,5,7-trimethyladamantane-1-carboxylic acid SMILES: CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O

PubChem CID 2802268
CAS 15291-66-4
Molecular Weight (g/mol) 222.33
MDL Number MFCD00187581
SMILES CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O
Synonym 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl
IUPAC Name 3,5,7-trimethyladamantane-1-carboxylic acid
InChI Key DHIIUPVOLLOORM-UHFFFAOYSA-N
Molecular Formula C14H22O2
15

2-(1-Adamantyl)acetic acid, 97%, Thermo Scientific™

CAS: 4942-47-6 Molecular Formula: C12H17O2 Molecular Weight (g/mol): 193.27 MDL Number: MFCD00074728 InChI Key: AOTQGWFNFTVXNQ-UHFFFAOYSA-M Synonym: 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane PubChem CID: 123221 SMILES: [O-]C(=O)CC12CC3CC(CC(C3)C1)C2

PubChem CID 123221
CAS 4942-47-6
Molecular Weight (g/mol) 193.27
MDL Number MFCD00074728
SMILES [O-]C(=O)CC12CC3CC(CC(C3)C1)C2
Synonym 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane
InChI Key AOTQGWFNFTVXNQ-UHFFFAOYSA-M
Molecular Formula C12H17O2