CAS Registry Number 76469-88-0
Name:
Benzoic acid, 4-​(cyanomethyl)​-​, methyl ester
p-Toluic acid, α-cyano-, methyl ester (7CI)
4-Cyanomethylbenzoic acid methyl ester
Methyl 4-cyanomethylbenzoate
Methyl p-(cyanomethyl)benzoate
Methyl α-cyano-p-toluate

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

Specification

98%

1. (1) Julia, Marc; Bulletin de la Societe Chimique de France 1962, P2247-51 CAPLUS
2. (2) Sakellariou, Efstathia G.; Tetrahedron 2003, V59(46), P9083-9090 CAPLUS
3. (5) Pechlivanidis, Zissis; European Journal of Organic Chemistry 2009, (2), P223-237 CAPLUS