CAS Registry Number: 88241-65-0

Name:

2-​Propenoic acid, 3-​[1,​1'-​biphenyl]​-​4-​yl-​, (2E)​-
2-​Propenoic acid, 3-​[1,​1'-​biphenyl]​-​4-​yl-​, (E)​-; (E)​-​4-​Phenylcinnamic acid; trans-​3-​(4-​Phenylphenyl)​-​2-​propenoic acid; trans-​4-​Phenylcinnamic acid 

Chemical Formula: C15H12O2
Exact Mass: 224.08
Molecular Weight: 224.25
m/z: 224.08 (100.0%), 225.09 (16.4%), 226.09 (1.7%)

InChI: InChI=1S/C20H18N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-12H,3-4H2,1-2H3
InChIKey: VBVAVBCYMYWNOU-UHFFFAOYSA-N
Canonical SMILES : CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

Specification

98%

1. (1) Sugiyama, Kunio; Nihon Daigaku Seisankogakubu Kenkyu Hokoku, A: Rikokei 2003, V36(1), P49-60 CAPLUS
2. (2) Skvarchenko, V. R.; Zhurnal Obshchei Khimii 1961, V31, P1819-22 CAPLUS