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CAS Number: 1877-71-0
3-(methoxycarbonyl)benzoic acid

Structure

3-(methoxycarbonyl)benzoic acid
Name: 3-(methoxycarbonyl)benzoic acid
Synonyms:
General Information
Product Number: 1877710

CAS Registry Number 1877-71-0
Name:
1,​3-​Benzenedicarboxylic acid, 1-​methyl ester
1,3-Benzenedicarboxylic acid, monomethyl ester (9CI)
Isophthalic acid, methyl ester (6CI,7CI)
Isophthalic acid, monomethyl ester (8CI)
3-(Methoxycarbonyl)benzoic acid
3-Carbomethoxybenzoic acid

 

Chemical Formula: C9H8O4
Exact Mass: 180.04
Molecular Weight: 180.16
m/z: 180.04 (100.0%), 181.05 (10.0%), 182.05 (1.3%)

 

InChI:InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)

InChI Key:WMZNGTSLFSJHMZ-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC=CC(=C1)C(=O)O

Specification

98%

References
  1. (5) Monte, Manuel J. S.; Journal of Chemical and Engineering Data 2005, V50(6), P2101-2105 CAPLUS
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