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CAS Number: 106778-43-2
isoquinoline-6-carboxylic acid

Structure

isoquinoline-6-carboxylic acid
Name: isoquinoline-6-carboxylic acid
Synonyms:
General Information
Product Number: 106778432
CAS Registry Number: 106778-43-2
Name:
6-​Isoquinolinecarboxyl​ic acid
 
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)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13)
InChIKey: ADAHADRJWVCICR-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CN=C2)C=C1C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 355-360 °C   (1)CAS

Specification

98%

References
  1. (1) Tyson, Floyd T.; Journal of the American Chemical Society 1939, V61, P183-5 CAPLUS
  2. (2) Ashton, Kate S.; Bioorganic & Medicinal Chemistry Letters 2011, V21(18), P5191-5196 CAPLUS
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