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CAS Number: 3209-71-0
isoxazole-3-carboxylic acid

Structure

isoxazole-3-carboxylic acid
Name: isoxazole-3-carboxylic acid
Synonyms:
General Information
Product Number: 3209710
CAS Registry Number: 3209-71-0
Name:
        3-​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)3-1-2-8-5-3/h1-2H,(H,6,7)
InChIKey: UXYRXGFUANQKTA-UHFFFAOYSA-N
Canonical SMILES : C1=CON=C1C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 149 °C   (2)CAS
Melting Point 149 °C   (3)CAS
Melting Point 149 °C   (4)CAS
Melting Point 148-149 °C   (5)CAS
Melting Point 147 °C   (6)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Quilico, Adolfo; Gazzetta Chimica Italiana 1942, V72, P458-74 CAPLUS
  3. (3) Cramer, Richard D.; US 2855402 1958 CAPLUS
  4. (4) Cramer, Richard; Journal of Organic Chemistry 1961, V26, P2976-9 CAPLUS
  5. (5) Quilico, A.; Gazzetta Chimica Italiana 1947, V77, P586-95 CAPLUS
  6. (6) Paul, Raymond; Bulletin de la Societe Chimique de France 1963, P140-2 CAPLUS
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