CAS Registry Number: 16642-94-7

Name:

2-​Propenoic acid, 3-​(4-​cyanophenyl)​-​, (2E)​-
2-​Propenoic acid, 3-​(4-​cyanophenyl)​-​, (E)​-; Cinnamic acid, p-​cyano-​, (E)​- (8CI); (E)​-​3-​(4-​Cyanophenyl)​-​2-​propenoic acid; (E)​-​4-​Cyanocinnamic acid; trans-​3-​(4-​Cyanophenyl)​-​2-​propenoic acid; trans-​4-​Cyanocinnamic acid 

Chemical Formula: C10H7NO2
Exact Mass: 173.05
Molecular Weight: 173.17
m/z: 173.05 (100.0%), 174.05 (11.0%)
Elemental Analysis: C, 69.36; H, 4.07; N, 8.09; O, 18.48

InChI: InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5+
InChIKey: USVZQKYCNGNRBV-AATRIKPKSA-N
Canonical SMILES : C1=CC(=CC=C1C=CC(=O)O)C#N
Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O)C#N

Specification

98%

1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
2. (2) Sugiyama, Kunio; Nihon Daigaku Seisankogakubu Kenkyu Hokoku, A: Rikokei 2003, V36(1), P49-60 CAPLUS