Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.

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2,071 – 2,085 of 16,874 results

2,071

Ethyl 2-cyano-2-methylpropionate, 97%

CAS: 1572-98-1 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00034667 InChI Key: FYGRPGOHQCPZCV-UHFFFAOYSA-N PubChem CID: 344887 IUPAC Name: ethyl 2-cyano-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)C#N

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PubChem CID	344887
CAS	1572-98-1
Molecular Weight (g/mol)	141.17
MDL Number	MFCD00034667
SMILES	CCOC(=O)C(C)(C)C#N
IUPAC Name	ethyl 2-cyano-2-methylpropanoate
InChI Key	FYGRPGOHQCPZCV-UHFFFAOYSA-N
Molecular Formula	C7H11NO2

2,072

Methyl phenylpropiolate, 97%

CAS: 4891-38-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00041685 InChI Key: JFGWPXKGINUNDH-UHFFFAOYSA-N Synonym: methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate PubChem CID: 138378 IUPAC Name: methyl 3-phenylprop-2-ynoate SMILES: COC(=O)C#CC1=CC=CC=C1

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Specifications

PubChem CID	138378
CAS	4891-38-7
Molecular Weight (g/mol)	160.172
MDL Number	MFCD00041685
SMILES	COC(=O)C#CC1=CC=CC=C1
Synonym	methyl phenylpropiolate,methyl 3-phenylpropiolate,phenylpropynoic acid methyl ester,2-propynoic acid, 3-phenyl-, methyl ester,methyl phenylpropargylate,phenylpropiolic acid methyl ester,propiolic acid, 3-phenyl-, methyl ester,methylphenylpropalate,propiolic acid, phenyl-, methyl ester,methyl phenylpropynoate
IUPAC Name	methyl 3-phenylprop-2-ynoate
InChI Key	JFGWPXKGINUNDH-UHFFFAOYSA-N
Molecular Formula	C10H8O2

2,073

Phenazine methosulfate, 98+%

CAS: 299-11-6 Molecular Formula: C14H14N2O4S Molecular Weight (g/mol): 306.336 MDL Number: MFCD00011923 InChI Key: RXGJTUSBYWCRBK-UHFFFAOYSA-M Synonym: phenazine methosulfate,5-methylphenazin-5-ium methyl sulfate,5-methylphenazinium methyl sulfate,n-methylphenazonium methosulfate,phenazine methosulphate,methylphenazonium methosulfate,5-methylphenazine methylsulfate,n-methylphenazinium methosulfate,n-methylphenazonium methosulphate,phenazinium, 5-methyl-, methyl sulfate PubChem CID: 9285 ChEBI: CHEBI:8055 IUPAC Name: 5-methylphenazin-5-ium;methyl sulfate SMILES: C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]

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Specifications

PubChem CID	9285
CAS	299-11-6
Molecular Weight (g/mol)	306.336
ChEBI	CHEBI:8055
MDL Number	MFCD00011923
SMILES	C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]
Synonym	phenazine methosulfate,5-methylphenazin-5-ium methyl sulfate,5-methylphenazinium methyl sulfate,n-methylphenazonium methosulfate,phenazine methosulphate,methylphenazonium methosulfate,5-methylphenazine methylsulfate,n-methylphenazinium methosulfate,n-methylphenazonium methosulphate,phenazinium, 5-methyl-, methyl sulfate
IUPAC Name	5-methylphenazin-5-ium;methyl sulfate
InChI Key	RXGJTUSBYWCRBK-UHFFFAOYSA-M
Molecular Formula	C14H14N2O4S

2,074

Methyl o-toluate, 99%

CAS: 89-71-4 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008428 InChI Key: WVWZECQNFWFVFW-UHFFFAOYSA-N Synonym: methyl o-toluate,methyl orthotoluate,o-toluic acid, methyl ester,methyl o-methylbenzoate,methyl toluate,benzoic acid, 2-methyl-, methyl ester,2-methylbenzoic acid methyl ester,o-toluic acid methyl ester,methyl-o-methyl benzoate,2-methyl methylbenzoate PubChem CID: 33094 IUPAC Name: methyl 2-methylbenzoate SMILES: CC1=CC=CC=C1C(=O)OC

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Specifications

PubChem CID	33094
CAS	89-71-4
Molecular Weight (g/mol)	150.177
MDL Number	MFCD00008428
SMILES	CC1=CC=CC=C1C(=O)OC
Synonym	methyl o-toluate,methyl orthotoluate,o-toluic acid, methyl ester,methyl o-methylbenzoate,methyl toluate,benzoic acid, 2-methyl-, methyl ester,2-methylbenzoic acid methyl ester,o-toluic acid methyl ester,methyl-o-methyl benzoate,2-methyl methylbenzoate
IUPAC Name	methyl 2-methylbenzoate
InChI Key	WVWZECQNFWFVFW-UHFFFAOYSA-N
Molecular Formula	C9H10O2

2,075

Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 378211-85-9 Molecular Formula: C₇H₅N₃O₂ Molecular Weight (g/mol): 163.14 MDL Number: MFCD00297221 InChI Key: DZPAOAZDQHZRGG-UHFFFAOYSA-N Synonym: pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid PubChem CID: 670824 IUPAC Name: pyrazolo[1,5-a]pyrimidine-2-carboxylic acid SMILES: C1=CN2C(=CC(=N2)C(=O)O)N=C1

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Specifications

PubChem CID	670824
CAS	378211-85-9
Molecular Weight (g/mol)	163.14
MDL Number	MFCD00297221
SMILES	C1=CN2C(=CC(=N2)C(=O)O)N=C1
Synonym	pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid
IUPAC Name	pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI Key	DZPAOAZDQHZRGG-UHFFFAOYSA-N
Molecular Formula	C₇H₅N₃O₂

2,076

Methyl 2-chloropropionate, 97%

CAS: 17639-93-9 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.55 MDL Number: MFCD00000863 InChI Key: JLEJCNOTNLZCHQ-UHFFFAOYNA-N Synonym: methyl 2-chloropropionate,propanoic acid, 2-chloro-, methyl ester,2-chloropropionic acid methyl ester,propionic acid, 2-chloro-, methyl ester,methyl alpha-chloropropionate,methyl .alpha.-chloropropionate,.alpha.-chloropropionic acid methyl ester,propanoic acid, 2-chloro-, methyl ester, s,ch3chclc o och3,acmc-1bl6f PubChem CID: 28659 IUPAC Name: methyl 2-chloropropanoate SMILES: COC(=O)C(C)Cl

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Specifications

PubChem CID	28659
CAS	17639-93-9
Molecular Weight (g/mol)	122.55
MDL Number	MFCD00000863
SMILES	COC(=O)C(C)Cl
Synonym	methyl 2-chloropropionate,propanoic acid, 2-chloro-, methyl ester,2-chloropropionic acid methyl ester,propionic acid, 2-chloro-, methyl ester,methyl alpha-chloropropionate,methyl .alpha.-chloropropionate,.alpha.-chloropropionic acid methyl ester,propanoic acid, 2-chloro-, methyl ester, s,ch3chclc o och3,acmc-1bl6f
IUPAC Name	methyl 2-chloropropanoate
InChI Key	JLEJCNOTNLZCHQ-UHFFFAOYNA-N
Molecular Formula	C4H7ClO2

2,077

2-Bromoacetamide, 98%

CAS: 683-57-8 Molecular Formula: C₂H₄BrNO Molecular Weight (g/mol): 137.96 MDL Number: MFCD00008025 InChI Key: JUIKUQOUMZUFQT-UHFFFAOYSA-N Synonym: bromoacetamide,acetamide, 2-bromo,2-bromo-acetamide,alpha-bromoacetamide,bromacetamide,bromoacetoamide,bromo acetamide,2-bromoacetoamide,2-bromo acetamide,sjyhcabiktp@ PubChem CID: 69632 IUPAC Name: 2-bromoacetamide SMILES: C(C(=O)N)Br

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Specifications

PubChem CID	69632
CAS	683-57-8
Molecular Weight (g/mol)	137.96
MDL Number	MFCD00008025
SMILES	C(C(=O)N)Br
Synonym	bromoacetamide,acetamide, 2-bromo,2-bromo-acetamide,alpha-bromoacetamide,bromacetamide,bromoacetoamide,bromo acetamide,2-bromoacetoamide,2-bromo acetamide,sjyhcabiktp@
IUPAC Name	2-bromoacetamide
InChI Key	JUIKUQOUMZUFQT-UHFFFAOYSA-N
Molecular Formula	C₂H₄BrNO

2,078

Cyclopropylacetic acid, 97%

CAS: 5239-82-7 Molecular Formula: C5H8O22 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00041544 InChI Key: BXXOHRWKRXBZTG-UHFFFAOYSA-N Synonym: cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid PubChem CID: 138440 IUPAC Name: 2-cyclopropylacetic acid SMILES: CN1CCN(C)B1N=S=NB1N(C)CCN1C

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Specifications

PubChem CID	138440
CAS	5239-82-7
Molecular Weight (g/mol)	100.12
MDL Number	MFCD00041544
SMILES	CN1CCN(C)B1N=S=NB1N(C)CCN1C
Synonym	cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid
IUPAC Name	2-cyclopropylacetic acid
InChI Key	BXXOHRWKRXBZTG-UHFFFAOYSA-N
Molecular Formula	C5H8O22

2,079

5-Bromo-4-chloro-3-indolylphosphate Disodium Salt, ≥98%, MP Biomedicals™

CAS: 102185-33-1 Molecular Formula: C8H4BrClNNa2O4P Molecular Weight (g/mol): 370.43 MDL Number: MFCD00036757 InChI Key: OAZUOCJOEUNDEK-UHFFFAOYSA-L Synonym: sodium 5-bromo-4-chloro-1h-indol-3-yl phosphate,5-bromo-4-chloro-3-indolyl phosphate disodium salt,5-bromo-4-chloro-3-indoxyl phosphate, disodium salt,bcip™,1h-indol-3-ol, 5-bromo-4-chloro-, 3-dihydrogen phosphate , sodium salt 1:2,disodium 5-bromo-4-chloro-1h-indol-3-yl phosphate,1h-indol-3-ol,5-bromo-4-chloro-, 3-dihydrogen phosphate , sodium salt 1:2,5-bromo-4-chloro-3-indolyl phosphate,5-bromo-4-chloro-3-indolylphosphate disodium salt PubChem CID: 6097197 IUPAC Name: disodium 5-bromo-4-chloro-1H-indol-3-yl phosphate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12

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Specifications

PubChem CID	6097197
CAS	102185-33-1
Molecular Weight (g/mol)	370.43
MDL Number	MFCD00036757
SMILES	[Na+].[Na+].[O-]P([O-])(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12
Synonym	sodium 5-bromo-4-chloro-1h-indol-3-yl phosphate,5-bromo-4-chloro-3-indolyl phosphate disodium salt,5-bromo-4-chloro-3-indoxyl phosphate, disodium salt,bcip™,1h-indol-3-ol, 5-bromo-4-chloro-, 3-dihydrogen phosphate , sodium salt 1:2,disodium 5-bromo-4-chloro-1h-indol-3-yl phosphate,1h-indol-3-ol,5-bromo-4-chloro-, 3-dihydrogen phosphate , sodium salt 1:2,5-bromo-4-chloro-3-indolyl phosphate,5-bromo-4-chloro-3-indolylphosphate disodium salt
IUPAC Name	disodium 5-bromo-4-chloro-1H-indol-3-yl phosphate
InChI Key	OAZUOCJOEUNDEK-UHFFFAOYSA-L
Molecular Formula	C8H4BrClNNa2O4P

2,080

tert-Butyl carbazate, 99%

CAS: 870-46-2 Molecular Formula: C₅H₁₂N₂O₂ Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007593 InChI Key: DKACXUFSLUYRFU-UHFFFAOYSA-N Synonym: tert-butyl carbazate,tert-butyl hydrazinecarboxylate,t-butyl carbazate,hydrazinecarboxylic acid, 1,1-dimethylethyl ester,t-butylcarbazate,tert-butoxycarbonyl hydrazide,boc-hydrazide,boc-hydrazine,tert-butoxycarbonyl hydrazine,carbazic acid tert-butyl ester PubChem CID: 70091 IUPAC Name: tert-butyl N-aminocarbamate SMILES: CC(C)(C)OC(=O)NN

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Specifications

PubChem CID	70091
CAS	870-46-2
Molecular Weight (g/mol)	132.16
MDL Number	MFCD00007593
SMILES	CC(C)(C)OC(=O)NN
Synonym	tert-butyl carbazate,tert-butyl hydrazinecarboxylate,t-butyl carbazate,hydrazinecarboxylic acid, 1,1-dimethylethyl ester,t-butylcarbazate,tert-butoxycarbonyl hydrazide,boc-hydrazide,boc-hydrazine,tert-butoxycarbonyl hydrazine,carbazic acid tert-butyl ester
IUPAC Name	tert-butyl N-aminocarbamate
InChI Key	DKACXUFSLUYRFU-UHFFFAOYSA-N
Molecular Formula	C₅H₁₂N₂O₂

2,081

n-Butyl propionate, 99%

CAS: 590-01-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC

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Specifications

PubChem CID	11529
CAS	590-01-2
Molecular Weight (g/mol)	130.187
MDL Number	MFCD00009448
SMILES	CCCCOC(=O)CC
Synonym	butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate
IUPAC Name	butyl propanoate
InChI Key	BTMVHUNTONAYDX-UHFFFAOYSA-N
Molecular Formula	C7H14O2

2,082

4,4'-Diaminobenzanilide, 98%

CAS: 785-30-8 Molecular Formula: C13H13N3O Molecular Weight (g/mol): 227.27 MDL Number: MFCD00025361 InChI Key: XPAQFJJCWGSXGJ-UHFFFAOYSA-N Synonym: 4,4'-diaminobenzanilide,4-amino-n-4-aminophenyl benzamide,benzamide, 4-amino-n-4-aminophenyl,4-aminobenzoyl-4'-aminoanilide,p,p'-diaminobenzanilide,4,4'-diamino benzanilide,unii-00x4jm89uh,benzanilide, 4,4'-diamino,4-aminophenyl-n-4-aminophenyl carboxamide,ccris 8916 PubChem CID: 69917 IUPAC Name: 4-amino-N-(4-aminophenyl)benzamide SMILES: NC1=CC=C(NC(=O)C2=CC=C(N)C=C2)C=C1

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Specifications

PubChem CID	69917
CAS	785-30-8
Molecular Weight (g/mol)	227.27
MDL Number	MFCD00025361
SMILES	NC1=CC=C(NC(=O)C2=CC=C(N)C=C2)C=C1
Synonym	4,4'-diaminobenzanilide,4-amino-n-4-aminophenyl benzamide,benzamide, 4-amino-n-4-aminophenyl,4-aminobenzoyl-4'-aminoanilide,p,p'-diaminobenzanilide,4,4'-diamino benzanilide,unii-00x4jm89uh,benzanilide, 4,4'-diamino,4-aminophenyl-n-4-aminophenyl carboxamide,ccris 8916
IUPAC Name	4-amino-N-(4-aminophenyl)benzamide
InChI Key	XPAQFJJCWGSXGJ-UHFFFAOYSA-N
Molecular Formula	C13H13N3O

2,083

2-chloro-5-methoxyphenylboronic acid, 97%

CAS: 89694-46-2 Molecular Formula: C7H8BClO3 Molecular Weight (g/mol): 186.40 MDL Number: MFCD06659858 InChI Key: REFXAANPQCJZRY-UHFFFAOYSA-N Synonym: 2-chloro-5-methoxyphenyl boronic acid,2-chloro-5-methoxyphenylboronicacid,3-borono-4-chloroanisole,2-chloro-5-methoxybenzeneboronic acid,2-chloro-5-methoxy-phenyl boronic acid,boronic acid, 2-chloro-5-methoxyphenyl,pubchem6932,acmc-209r2h,2-chloro-5-methoxylphenylboronic acid PubChem CID: 17750233 IUPAC Name: (2-chloro-5-methoxyphenyl)boronic acid SMILES: COC1=CC=C(Cl)C(=C1)B(O)O

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Specifications

PubChem CID	17750233
CAS	89694-46-2
Molecular Weight (g/mol)	186.40
MDL Number	MFCD06659858
SMILES	COC1=CC=C(Cl)C(=C1)B(O)O
Synonym	2-chloro-5-methoxyphenyl boronic acid,2-chloro-5-methoxyphenylboronicacid,3-borono-4-chloroanisole,2-chloro-5-methoxybenzeneboronic acid,2-chloro-5-methoxy-phenyl boronic acid,boronic acid, 2-chloro-5-methoxyphenyl,pubchem6932,acmc-209r2h,2-chloro-5-methoxylphenylboronic acid
IUPAC Name	(2-chloro-5-methoxyphenyl)boronic acid
InChI Key	REFXAANPQCJZRY-UHFFFAOYSA-N
Molecular Formula	C7H8BClO3

2,084

3,5-Dinitrobenzamide, 98%

CAS: 121-81-3 Molecular Formula: C7H5N3O5 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007985 InChI Key: UUKWKUSGGZNXGA-UHFFFAOYSA-N Synonym: nitromide,tristat,unistat,benzamide, 3,5-dinitro,nitromide usan,component of tristat,nitroamide,component of unistat-3,unii-9duj3cmk8s,9duj3cmk8s PubChem CID: 4511 IUPAC Name: 3,5-dinitrobenzamide SMILES: NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	4511
CAS	121-81-3
Molecular Weight (g/mol)	211.13
MDL Number	MFCD00007985
SMILES	NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym	nitromide,tristat,unistat,benzamide, 3,5-dinitro,nitromide usan,component of tristat,nitroamide,component of unistat-3,unii-9duj3cmk8s,9duj3cmk8s
IUPAC Name	3,5-dinitrobenzamide
InChI Key	UUKWKUSGGZNXGA-UHFFFAOYSA-N
Molecular Formula	C7H5N3O5

2,085

Methyl dichloroacetate, 99%

CAS: 116-54-1 Molecular Formula: C3H4Cl2O2 Molecular Weight (g/mol): 142.963 MDL Number: MFCD00000843 InChI Key: HKMLRUAPIDAGIE-UHFFFAOYSA-N Synonym: methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1 PubChem CID: 8315 IUPAC Name: methyl 2,2-dichloroacetate SMILES: COC(=O)C(Cl)Cl

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Specifications

PubChem CID	8315
CAS	116-54-1
Molecular Weight (g/mol)	142.963
MDL Number	MFCD00000843
SMILES	COC(=O)C(Cl)Cl
Synonym	methyl dichloroacetate,dichloroacetic acid methyl ester,acetic acid, dichloro-, methyl ester,ccris 7740,acetic acid, 2,2-dichloro-, methyl ester,methyldichloroethanoate,acmc-1brpm,dichloroacetic acid methyl,methyl2,2-dichloroacetate,wln: gygvo1
IUPAC Name	methyl 2,2-dichloroacetate
InChI Key	HKMLRUAPIDAGIE-UHFFFAOYSA-N
Molecular Formula	C3H4Cl2O2

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