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CAS Number: 771-50-6
1H-indole-3-carboxylic acid

Structure

1H-indole-3-carboxylic acid
Name: 1H-indole-3-carboxylic acid
Synonyms:
General Information
Product Number: 771506

CAS Registry Number 771-50-6
Name:
1H-​Indole-​3-​carboxylic acid
Indole-3-carboxylic acid (8CI)
3-Carboxyindole
3-Indoleformic acid
3-Indolylcarboxylic acid
Indole-β-carboxylic acid

 

Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)

 

InChI:InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)

InChI Key:KMAKOBLIOCQGJP-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)C(=O)O

Specification

98%

References
  1. (11) Fujikawa, Masaaki; Bioorganic & Medicinal Chemistry 2005, V13(15), P4721-4732 CAPLUS
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