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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 (19)
Carboxylic acid esters (14)
Tetracarboxylic acids and derivatives (7)
Carboxylic acid amides (6)

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1 – 15 of 20 results
1

Ethylenediaminetetraacetic acid, 99%

CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

EDGE
PubChem CID 6049
CAS 60-00-4
Molecular Weight (g/mol) 292.24
ChEBI CHEBI:42191
MDL Number MFCD00003541
SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Synonym edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol
IUPAC Name 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
InChI Key KCXVZYZYPLLWCC-UHFFFAOYSA-N
Molecular Formula C10H16N2O8
2

Ethylenediaminetetraacetic acid, ACS, 99.4+%

CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

EDGE
PubChem CID 6049
CAS 60-00-4
Molecular Weight (g/mol) 292.24
ChEBI CHEBI:42191
MDL Number MFCD00003541
SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Synonym edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol
IUPAC Name 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
InChI Key KCXVZYZYPLLWCC-UHFFFAOYSA-N
Molecular Formula C10H16N2O8
3

Methyl 2-nonynoate, 98%, Thermo Scientific Chemicals

CAS: 111-80-8 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.236 MDL Number: MFCD00009547 InChI Key: NTLJTUMJJWVCTL-UHFFFAOYSA-N Synonym: methyl 2-nonynoate,2-nonynoic acid methyl ester,methyl octine carbonate,methyl octyne carbonate,2-nonynoic acid, methyl ester,methyloctyne carboxylate,methyloctyne carbonate,methyl octin carbonate,octynecarboxylic acid, methyl ester,methyl octynecarboxylate PubChem CID: 8137 ChEBI: CHEBI:51749 IUPAC Name: methyl non-2-ynoate SMILES: CCCCCCC#CC(=O)OC

PubChem CID 8137
CAS 111-80-8
Molecular Weight (g/mol) 168.236
ChEBI CHEBI:51749
MDL Number MFCD00009547
SMILES CCCCCCC#CC(=O)OC
Synonym methyl 2-nonynoate,2-nonynoic acid methyl ester,methyl octine carbonate,methyl octyne carbonate,2-nonynoic acid, methyl ester,methyloctyne carboxylate,methyloctyne carbonate,methyl octin carbonate,octynecarboxylic acid, methyl ester,methyl octynecarboxylate
IUPAC Name methyl non-2-ynoate
InChI Key NTLJTUMJJWVCTL-UHFFFAOYSA-N
Molecular Formula C10H16O2
4

1H-indazole-3-carboxylic acid, Thermo Scientific™

CAS: 4498-67-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 InChI Key: BHXVYTQDWMQVBI-UHFFFAOYSA-N Synonym: indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid PubChem CID: 78250 IUPAC Name: 1H-indazole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)O

PubChem CID 78250
CAS 4498-67-3
Molecular Weight (g/mol) 162.148
SMILES C1=CC=C2C(=C1)C(=NN2)C(=O)O
Synonym indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid
IUPAC Name 1H-indazole-3-carboxylic acid
InChI Key BHXVYTQDWMQVBI-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
5

Benzamide, 98+%

CAS: 55-21-0 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00007968 InChI Key: KXDAEFPNCMNJSK-UHFFFAOYSA-N Synonym: benzoic acid amide,benzoylamide,phenylcarboxyamide,phenylcarboxamide,benzenecarboxamide,amid kyseliny benzoove,amid kyseliny benzoove czech,phenyl carboxyamide,ccris 4594,benzoic acid,amide PubChem CID: 2331 ChEBI: CHEBI:28179 IUPAC Name: benzamide SMILES: C1=CC=C(C=C1)C(=O)N

PubChem CID 2331
CAS 55-21-0
Molecular Weight (g/mol) 121.139
ChEBI CHEBI:28179
MDL Number MFCD00007968
SMILES C1=CC=C(C=C1)C(=O)N
Synonym benzoic acid amide,benzoylamide,phenylcarboxyamide,phenylcarboxamide,benzenecarboxamide,amid kyseliny benzoove,amid kyseliny benzoove czech,phenyl carboxyamide,ccris 4594,benzoic acid,amide
IUPAC Name benzamide
InChI Key KXDAEFPNCMNJSK-UHFFFAOYSA-N
Molecular Formula C7H7NO
6

1H-Indazole-3-carboxylic acid, 98%

CAS: 4498-67-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00211066 InChI Key: BHXVYTQDWMQVBI-UHFFFAOYSA-N Synonym: indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid PubChem CID: 78250 IUPAC Name: 1H-indazole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)O

PubChem CID 78250
CAS 4498-67-3
Molecular Weight (g/mol) 162.148
MDL Number MFCD00211066
SMILES C1=CC=C2C(=C1)C(=NN2)C(=O)O
Synonym indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid
IUPAC Name 1H-indazole-3-carboxylic acid
InChI Key BHXVYTQDWMQVBI-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
7

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

CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1

PubChem CID 72899
CAS 1477-50-5
Molecular Weight (g/mol) 161.16
MDL Number MFCD00005611
SMILES OC(=O)C1=CC2=CC=CC=C2N1
Synonym indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole
IUPAC Name 1H-indole-2-carboxylic acid
InChI Key HCUARRIEZVDMPT-UHFFFAOYSA-N
Molecular Formula C9H7NO2
8

Ethyl pyrrole-2-carboxylate, 98+%

CAS: 2199-43-1 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.154 MDL Number: MFCD00817049 InChI Key: PAEYAKGINDQUCT-UHFFFAOYSA-N Synonym: ethyl pyrrole-2-carboxylate,ethyl 2-pyrrolecarboxylate,ethyl pyrrole-2-carbonate,ethylpyrrole-2-carboxylate,1h-pyrrole-2-carboxylic acid, ethyl ester,2-ethoxycarbonyl-1h-pyrrole,pyrrole-2-carboxylic acid, ethyl ester,1h-pyrrole-2-carboxylic acid ethyl ester,pyrrole-2-carboxylic acid ethyl ester,ethyl1h-pyrrole-2-carboxylate PubChem CID: 255670 IUPAC Name: ethyl 1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=CC=CN1

PubChem CID 255670
CAS 2199-43-1
Molecular Weight (g/mol) 139.154
MDL Number MFCD00817049
SMILES CCOC(=O)C1=CC=CN1
Synonym ethyl pyrrole-2-carboxylate,ethyl 2-pyrrolecarboxylate,ethyl pyrrole-2-carbonate,ethylpyrrole-2-carboxylate,1h-pyrrole-2-carboxylic acid, ethyl ester,2-ethoxycarbonyl-1h-pyrrole,pyrrole-2-carboxylic acid, ethyl ester,1h-pyrrole-2-carboxylic acid ethyl ester,pyrrole-2-carboxylic acid ethyl ester,ethyl1h-pyrrole-2-carboxylate
IUPAC Name ethyl 1H-pyrrole-2-carboxylate
InChI Key PAEYAKGINDQUCT-UHFFFAOYSA-N
Molecular Formula C7H9NO2
9

Dimethyl phthalate, 99%

CAS: 131-11-3 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008425 InChI Key: NIQCNGHVCWTJSM-UHFFFAOYSA-N Synonym: dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm PubChem CID: 8554 ChEBI: CHEBI:4609 SMILES: COC(=O)C1=CC=CC=C1C(=O)OC

PubChem CID 8554
CAS 131-11-3
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:4609
MDL Number MFCD00008425
SMILES COC(=O)C1=CC=CC=C1C(=O)OC
Synonym dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm
InChI Key NIQCNGHVCWTJSM-UHFFFAOYSA-N
Molecular Formula C10H10O4
10

Methyl 2-octynoate, 98%

CAS: 111-12-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00009530 InChI Key: FRLZQXRXIKQFNS-UHFFFAOYSA-N Synonym: methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 PubChem CID: 8092 IUPAC Name: methyl oct-2-ynoate SMILES: CCCCCC#CC(=O)OC

PubChem CID 8092
CAS 111-12-6
Molecular Weight (g/mol) 154.209
MDL Number MFCD00009530
SMILES CCCCCC#CC(=O)OC
Synonym methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3
IUPAC Name methyl oct-2-ynoate
InChI Key FRLZQXRXIKQFNS-UHFFFAOYSA-N
Molecular Formula C9H14O2
11

Acetic acid, glacial, 99+%

CAS: 64-19-7 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00036152 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-N Synonym: ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure PubChem CID: 176 ChEBI: CHEBI:15366 IUPAC Name: acetic acid SMILES: CC(O)=O

PubChem CID 176
CAS 64-19-7
Molecular Weight (g/mol) 60.05
ChEBI CHEBI:15366
MDL Number MFCD00036152
SMILES CC(O)=O
Synonym ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure
IUPAC Name acetic acid
InChI Key QTBSBXVTEAMEQO-UHFFFAOYSA-N
Molecular Formula C2H4O2
13

Isobutyl acetate, 98%

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

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
14

Diethyl acetylenedicarboxylate, 97%

CAS: 762-21-0 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.17 MDL Number: MFCD00009186 InChI Key: STRNXFOUBFLVIN-UHFFFAOYSA-N Synonym: diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate PubChem CID: 69803 IUPAC Name: diethyl but-2-ynedioate SMILES: CCOC(=O)C#CC(=O)OCC

PubChem CID 69803
CAS 762-21-0
Molecular Weight (g/mol) 170.17
MDL Number MFCD00009186
SMILES CCOC(=O)C#CC(=O)OCC
Synonym diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate
IUPAC Name diethyl but-2-ynedioate
InChI Key STRNXFOUBFLVIN-UHFFFAOYSA-N
Molecular Formula C8H10O4
15

4'-Chloroacetanilide, 97%

CAS: 539-03-7 MDL Number: MFCD00000612 InChI Key: GGUOCFNAWIODMF-UHFFFAOYSA-N Synonym: 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide PubChem CID: 10871 ChEBI: CHEBI:116915 IUPAC Name: N-(4-chlorophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)Cl

PubChem CID 10871
CAS 539-03-7
ChEBI CHEBI:116915
MDL Number MFCD00000612
SMILES CC(=O)NC1=CC=C(C=C1)Cl
Synonym 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide
IUPAC Name N-(4-chlorophenyl)acetamide
InChI Key GGUOCFNAWIODMF-UHFFFAOYSA-N