CAS Registry Number: 357263-49-1

Name:

1H-​Pyrrolo[2,​3-​b]​pyridine-​3-​acetic acid, α-​oxo-​, methyl ester

(Oxo)​(1H-​pyrrolo[2,​3-​b]​pyridin-​3-​yl)​acetic acid methyl ester 

Chemical Formula: C10H8N2O3
Exact Mass: 204.05
Molecular Weight: 204.18
m/z: 204.05 (100.0%), 205.06 (11.0%), 206.06 (1.2%)
Elemental Analysis: C, 58.82; H, 3.95; N, 13.72; O, 23.51

InChI: InChI=1S/C10H8N2O3/c1-15-10(14)8(13)7-5-12-9-6(7)3-2-4-11-9/h2-5H,1H3,(H,11,12)
InChIKey: LXGPNHJNIRDJER-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C(=O)C1=CNC2=C1C=CC=N2

Specification

98%

PCT Int. Appl. (2010), WO 2010031184 A1 20100325.                                 

PCT Int. Appl. (2007), WO 2007068418 A1 20070621.