CAS Registry Number: 35066-32-1

Name:

Benzoic acid, 3-​cyano-​4-​methyl-​, methyl ester
3-​Cyano-​4-​methylbenzoic acid methyl ester; Methyl 3-​cyano-​4-​methylbenzoate 

Chemical Formula: C10H9NO2
Exact Mass: 175.06
Molecular Weight: 175.18
m/z: 175.06 (100.0%), 176.07 (11.0%)
Elemental Analysis: C, 68.56; H, 5.18; N, 8.00; O, 18.27

InChI: InChI=1S/C10H9NO2/c1-7-3-4-8(10(12)13-2)5-9(7)6-11/h3-5H,1-2H3
InChIKey: QMGIAFDCHWFQKS-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1)C(=O)OC)C#N

Specification

98%

PCT Int. Appl. (2012), WO 2012122391 A1 20120913.                                  

PCT Int. Appl. (2009), WO 2009042694 A1 20090402.