CAS Registry Number: 754190-58-4

Name:

2-​Propenoic acid, 3-​(8-​quinolinyl)​-​, (2E)​-
(2E)​-​3-​(Quinolin-​8-​yl)​prop-​2-​enoic acid; (E)​-​3-​(8-​Quinolinyl)​-​2-​propenoic acid 

Chemical Formula: C12H9NO2
Exact Mass: 199.06
Molecular Weight: 199.21
m/z: 199.06 (100.0%), 200.07 (13.2%), 201.07 (1.2%)

InChI: InChI=1S/C12H9NO2/c14-11(15)7-6-10-4-1-3-9-5-2-8-13-12(9)10/h1-8H,(H,14,15)
InChIKey: JIEIJAGBFCDWPA-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C(=C1)C=CC(=O)O)N=CC=C2

Specification

98%

PCT Int. Appl. (2004), WO 2004076386 A2 20040910.                                  

European Journal of Medicinal Chemistry (2009), 44(3), 1067-1085.