CAS Registry Number: 27104-73-0

Name:

3-​Isoquinolinecarboxyl​ic acid, methyl ester
3-​(Methoxycarbonyl)​isoquinoline; Methyl 3-​isoquinolinecarboxyl​ate 

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%)
Elemental Analysis: C, 70.58; H, 4.85; N, 7.48; O, 17.09

InChI: InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3
InChIKey: ZBCGBIZQNMVMPC-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=CC=CC=C2C=N1

Specification

98%

1. (1) Hickey, Deirdre M. B.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1987, (4), P921-6 CAPLUS