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CAS Number: 103261-68-3
methyl 5-cyano-2-methylbenzoate

Structure

methyl 5-cyano-2-methylbenzoate
Name: methyl 5-cyano-2-methylbenzoate
Synonyms:
General Information
Product Number: 103261683

CAS Registry Number 103261-68-3
Name:
Benzoic acid, 5-?cyano-?2-?methyl-?, methyl ester
o-Toluic acid, 5-cyano-, methyl ester (6CI)
5-Cyano-2-methylbenzoic acid methyl ester
Methyl 5-cyano-2-methylbenzoate

 

Chemical Formula: C10H9NO2
Exact Mass: 175.06
Molecular Weight: 175.18
m/z: 175.06 (100.0%), 176.07 (11.0%)

 

InChI:InChI=1S/C10H9NO2/c1-7-3-4-8(6-11)5-9(7)10(12)13-2/h3-5H,1-2H3

InChI Key:NLJITVMSLMNYSZ-UHFFFAOYSA-N

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

Specification

98%

References
  1. (1) Ghosh, Arun K.; Journal of Medicinal Chemistry 2009, V52(16), P5228-5240 CAPLUS
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