CAS Registry Number: 855292-39-6

Name:

1-​Isoquinolineacetic acid

Chemical Formula: C11H9NO2
Exact Mass: 187.06
Molecular Weight: 187.19
m/z: 187.06 (100.0%), 188.07 (12.1%), 189.07 (1.1%)

InChI: InChI=1S/C11H9NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H,7H2,(H,13,14)
InChIKey: CPPDVCCRUHPOSK-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C=CN=C2CC(=O)O

Specification

98%

PCT Int. Appl. (2003), WO 2003072528 A2 20030904.                                 

Pharmaceutical Bulletin (1958), 6, 183-6.