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CAS Number: 27810-64-6
isoquinoline-5-carboxylic acid

Structure

isoquinoline-5-carboxylic acid
Name: isoquinoline-5-carboxylic acid
Synonyms:
General Information
Product Number: 27810646
CAS Registry Number: 27810-64-6
Name:
5-​Isoquinolinecarboxyl​ic acid
5-​Carboxyisoquinoline; NSC 92776 
 
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)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13)
InChIKey: ZIPLFLRGHZAXSJ-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CN=C2)C(=C1)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 280-282 °C   (1)CAS

Specification

98%

References
  1. (1) Tyson, Floyd T.; Journal of the American Chemical Society 1939, V61, P183-5 CAPLUS
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