CAS Registry Number: 25978-68-1

Name:

Benzoic acid, 4-​cyano-​3-​methyl-​, methyl ester
m-​Toluic acid, 4-​cyano-​, methyl ester (8CI); Methyl 4-​cyano-​3-​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/c1-7-5-8(10(12)13-2)3-4-9(7)6-11/h3-5H,1-2H3
InChIKey: LIXWSMOADOOTOR-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=CC(=C1)C(=O)OC)C#N

Specification

98%

PCT Int. Appl. (2013), WO 2013019653 A1 20130207.

PCT Int. Appl. (2012), WO 2012103071 A2 20120802.