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CAS Number: 1975-53-7
4-cyano-2-methylbenzoic acid

Structure

4-cyano-2-methylbenzoic acid
Name: 4-cyano-2-methylbenzoic acid
Synonyms:
General Information
Product Number: 1975537

CAS Registry Number 1975-53-7
Name:
Benzoic acid, 4-​cyano-​2-​methyl-
o-Toluic acid, 4-cyano- (6CI,7CI,8CI)
4-Cyano-2-methylbenzoic acid

 

Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)

 

InChI:InChI=1S/C9H7NO2/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-4H,1H3,(H,11,12)

InChI Key:NIDKGLRXRBFGEN-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CC(=C1)C#N)C(=O)O

Specification

98%

References
  1. (1) Cohen, Mark A.; Tetrahedron Letters 1990, V31(49), P7223-6 CAPLUS
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