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CAS Number: 7159-36-6
isoquinoline-4-carboxylic acid

Structure

 isoquinoline-4-carboxylic acid
Name: isoquinoline-4-carboxylic acid
Synonyms:
General Information
Product Number: 7159366
CAS Registry Number: 7159-36-6
Name:
4-​Isoquinolinecarboxyl​ic acid
4-​Carboxyisoquinoline 
 
Chemical Formula: C10H7NO2
Exact Mass: 173.05
Molecular Weight: 173.17
m/z: 173.05 (100.0%), 174.05 (11.0%)
Elemental Analysis: C, 69.36; H, 4.07; N, 8.09; O, 18.48
 
InChI: InChI=1S/C10H7NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,(H,12,13)
InChIKey: MCVMLYSLPCECGO-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C=NC=C2C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 264-266 °C   (2)CAS
Melting Point 263-265 °C   (3)CAS
Melting Point 263-265 °C   (4)CAS

Specification

98%
References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) Tyson, Floyd T.; Journal of the American Chemical Society 1939, V61, P183-5 CAPLUS
  3. (3) Thuillier, Germaine; Bulletin de la Societe Chimique de France 1966, (5), P1763-5 CAPLUS
  4. (4) Bergstrom, F. W.; Journal of the American Chemical Society 1940, V62, P3030-2 CAPLUS
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