CAS Registry Number: 133831-28-4

Name:

1H-​Indole-​6-​carboxylic acid, 3-​formyl-​, methyl ester
3-​Formyl-​1H-​indole-​6-​carboxylic acid methyl ester; Methyl 3-​formyl-​1H-​indole-​6-​carboxylate; Methyl 3-​formylindole-​6-​carboxylate 

Chemical Formula: C11H9NO3
Exact Mass: 203.06
Molecular Weight: 203.19
m/z: 203.06 (100.0%), 204.06 (12.5%), 205.06 (1.3%)
Elemental Analysis: C, 65.02; H, 4.46; N, 6.89; O, 23.62

InChI: InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-9-8(6-13)5-12-10(9)4-7/h2-6,12H,1H3
InChIKey: KRDRROJESQUFMJ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(C=C1)C(=CN2)C=O

Specification

98%

PCT Int. Appl. (2013), WO 2013045516 A1 20130404.

PCT Int. Appl. (2012), WO 2012008508 A1 20120119.