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CAS Number: 1670-82-2
1H-indole-6-carboxylic acid

Structure

1H-indole-6-carboxylic acid
Name: 1H-indole-6-carboxylic acid
Synonyms:
General Information
Product Number: 1670822
CAS Registry Number: 1670-82-2
Name:
1H-​Indole-​6-​carboxylic acid
Indole-​6-​carboxylic acid (7CI,​8CI); 6-​Carboxy-​1H-​indole; 6-​Carboxyindole 
 
Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)
Elemental Analysis: C, 67.07; H, 4.38; N, 8.69; O, 19.86
 
InChI: InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12)
InChIKey: GHTDODSYDCPOCW-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC2=C1C=CN2)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 253-254 °C   (2)IC
Melting Point 243-244 °C   (3)CAS
Melting Point 243-244 °C   (4)IC

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Tischler, Allan N.; Tetrahedron Letters 1986, V27(15), P1653-6 CAPLUS
  3. (3) Kermack, Wm. O.; Journal of the Chemical Society, Transactions 1924, V125, P2285-91 CAPLUS
  4. (4) Kasahara, Akira; Journal of Chemical Technology and Biotechnology 1986, V36(12), P562-4 CAPLUS
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