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CAS Number: 1670-81-1
1H-indole-5-carboxylic acid

Structure

 1H-indole-5-carboxylic acid
Name: 1H-indole-5-carboxylic acid
Synonyms:
General Information
Product Number: 1670811
CAS Registry Number: 1670-81-1
Name:
1H-​Indole-​5-​carboxylic acid
Indole-​5-​carboxylic acid (7CI,​8CI); 5-​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)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
InChIKey: IENZCGNHSIMFJE-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CN2)C=C1C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 213-214 °C   (6)IC
Melting Point 209.5-211.0 °C   (9)CAS
Melting Point 209-213 °C   (6)IC
Melting Point 208-209 °C   (10)CAS
Melting Point 206-208 °C   (11)IC
Melting Point See full text   (8)CAS

Specification

98%
References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  3. (3) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  4. (4) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  5. (5) Nirogi, Ramakrishna V. S.; Pharma Chemica 2011, V3(3), P221-231 CAPLUS
  6. (6) Hino, Tohru; Chemical & Pharmaceutical Bulletin 1982, V30(7), P2349-56 CAPLUS
  7. (7) Nie, Guangming; Electrochimica Acta 2007, V52(24), P7097-7106 CAPLUS
  8. (8) Zhang, Qingshan; Huozhayao Xuebao 2003, V26(3), P73-75 CAPLUS
  9. (9) Abrash, Henry I.; Biochemistry 1965, V4(1), P99-104 CAPLUS
  10. (10) Singer, Herbert; Journal of Organic Chemistry 1955, V20, P1458-60 CAPLUS
  11. (11) Kasahara, Akira; Journal of Chemical Technology and Biotechnology 1986, V36(12), P562-4 CAPLUS
  12. (12) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  13. (13) Tsuji, Toshiyuki; Chemical Physics Letters 2009, V473(1-3), P196-200 CAPLUS
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