CAS Registry Number: 58461-21-5

Name:

1H-​Indene-​2-​carboxylic acid, 2,​3-​dihydro-​5-​methoxy-​1-​oxo-​, methyl ester
1H-​Indene-​2-​carboxylic acid, 2,​3-​dihydro-​1-​oxo-​5-​methoxy-​, methyl ester (9CI) 

Chemical Formula: C12H12O4
Exact Mass: 220.07
Molecular Weight: 220.22
m/z: 220.07 (100.0%), 221.08 (13.3%), 222.08 (1.6%)

InChI: InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChIKey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
Canonical SMILES : COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

Specification

98%

1. (1) Kobayashi, Shu; Organic Letters 2006, V8(21), P4923-4925 CAPLUS