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CAS Number: 103027-96-9
1H-indole-2,4-dicarboxylic acid

Structure

1H-indole-2,4-dicarboxylic acid
Name: 1H-indole-2,4-dicarboxylic acid
Synonyms:
General Information
Product Number: 103027969
CAS Registry Number: 103027-96-9
Name:
1H-​Indole-​2,​4-​dicarboxylic acid
Indole-​2,​4-​dicarboxylic acid (6CI) 
 
Chemical Formula: C10H7NO4
Exact Mass: 205.04
Molecular Weight: 205.17
m/z: 205.04 (100.0%), 206.04 (11.0%), 207.04 (1.4%)
Elemental Analysis: C, 58.54; H, 3.44; N, 6.83; O, 31.19
 
InChI: InChI=1S/C10H7NO4/c12-9(13)5-2-1-3-7-6(5)4-8(11-7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)
InChIKey: GBQRSEVKSZQWFF-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C2C=C(NC2=C1)C(=O)O)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 299-300 °C Solv: acetic acid (64-19-7) (1)CAS

Specification

98%

References
  1. (1) Bornstein, Joseph; Journal of the American Chemical Society 1957, V79, P1745-8 CAPLUS
  2. (2) Gray, Nancy M.; Journal of Medicinal Chemistry 1991, V34(4), P1283-92 CAPLUS
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