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CAS Number: 21169-71-1
isoxazole-5-carboxylic acid

Structure

isoxazole-5-carboxylic acid
Name: isoxazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 21169711
CAS Registry Number: 21169-71-1
Name:
5-​Isoxazolecarboxylic acid
 
Chemical Formula: C4H3NO3
Exact Mass: 113.01
Molecular Weight: 113.07
m/z: 113.01 (100.0%), 114.01 (4.7%)
Elemental Analysis: C, 42.49; H, 2.67; N, 12.39; O, 42.45
 
InChI: InChI=1S/C4H3NO3/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)
InChIKey: MIIQJAUWHSUTIT-UHFFFAOYSA-N
Canonical SMILES : C1=C(ON=C1)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 145.5-146.5 °C   (3)CAS
Melting Point 144 °C   (4)IC
Melting Point See full text   (5)CAS

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Quilico, Adolfo; Gazzetta Chimica Italiana 1942, V72, P458-74 CAPLUS
  4. (4) Spiegler, Wolfgang; Synthesis 1986, (1), P69-70 CAPLUS
  5. (5) Panizzi, Luigi; Gazzetta Chimica Italiana 1942, V72, P475-83 CAPLUS
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