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CAS Number: 15055-81-9
methyl isoxazole-5-carboxylate

Structure

methyl isoxazole-5-carboxylate
Name: methyl isoxazole-5-carboxylate
Synonyms:
General Information
Product Number: 15055819
CAS Registry Number: 15055-81-9
Name:
5-​Isoxazolecarboxylic acid, methyl ester
 
Chemical Formula: C5H5NO3
Exact Mass: 127.03
Molecular Weight: 127.10
m/z: 127.03 (100.0%), 128.03 (5.6%)
Elemental Analysis: C, 47.25; H, 3.97; N, 11.02; O, 37.76
 
InChI: InChI=1S/C5H5NO3/c1-8-5(7)4-2-3-6-9-4/h2-3H,1H3
InChIKey: ILPCPKZAAQXHKL-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=NO1
 
Thermal Properties Value Condition Note
Melting Point 49-50 °C   (2)CAS
Melting Point 47-50 °C   (3)CAS

Specification

98%

References
  1. (1) Boogaerts, Ine I. F.; Journal of the American Chemical Society 2010, V132(26), P8858-8859 CAPLUS
  2. (2) Quilico, Adolfo; Gazzetta Chimica Italiana 1942, V72, P458-74 CAPLUS
  3. (3) Huisgen, Rolf; Angewandte Chemie, International Edition in English 1967, V6(5), P456-7 CAPLUS
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