CAS Registry Number: 68432-92-8

Name:

Benzoic acid, 3-​(cyanomethyl)​-​, methyl ester
3-​Cyanomethylbenzoic acid methyl ester; Methyl 3-​(cyanomethyl)​benzoate; Methyl m-​(cyanomethyl)​benzoate 

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/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5H2,1H3
InChIKey: XSNUGLQVCGENEM-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CC=C1)CC#N

Specification

98%

1. (1) Mann, Stephane; Organic & Biomolecular Chemistry 2004, V2(12), P1732-1741 CAPLUS