CAS Registry Number: 2886-29-5

Name:

2-​Propenoic acid, 3-​(2-​cyanophenyl)​-​, (2E)​-
2-​Propenoic acid, 3-​(2-​cyanophenyl)​-​, (E)​-; Cinnamic acid, o-​cyano-​, (E)​- (8CI); (E)​-​o-​Cyanocinnamic acid; trans-​o-​Cyanocinnamic acid 

Chemical Formula: C10H7NO2
Exact Mass: 173.05
Molecular Weight: 173.17
m/z: 173.05 (100.0%), 174.05 (11.0%)

InChI: InChI=1S/C11H12N2O2.ClH/c1-7-3-9-10(4-8(7)2)13(6-12-9)5-11(14)15;/h3-4,6H,5H2,1-2H3,(H,14,15);1H
InChIKey: JOAXRJJIZQTASK-UHFFFAOYSA-N
Canonical SMILES : CC1=CC2=C(C=C1C)N(C=N2)CC(=O)O.Cl

Specification

98%

1. (1) Davies, W.; Journal of the Chemical Society 1939, P357-60 CAPLUS