CAS Registry Number: 51584-18-0

Name:

1H-​Indole-​3-​acetic acid, 1-​methyl-​α-​oxo-
(1-​Methyl-​1H-​indol-​3-​yl)​(oxo)​acetic acid; 1-​Methyl-​3-​indolylglyoxylic acid; 2-​(1-​Methyl-​1H-​indol-​3-​yl)​-​2-​(oxo)​acetic acid; N-​Methylindole-​3-​glyoxylic acid 

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/c1-12-6-8(10(13)11(14)15)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,14,15)
InChIKey: UJQAQVXJQOQUEK-UHFFFAOYSA-N
Canonical SMILES : CN1C=C(C2=CC=CC=C21)C(=O)C(=O)O

Specification

98%

1. (1) Blunt, John W.; Australian Journal of Chemistry 1979, V32(5), P1045-54 CAPLUS
2. (2) Morales-Rios, M. S.; Magnetic Resonance in Chemistry 1987, V25(5), P377-95 CAPLUS
3. (3) Law, Ga-Lai; European Journal of Inorganic Chemistry 2007, (34), P5419-5425 CAPLUS