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CAS Number: 63366-79-0
ethyl 3-methylisoxazole-5-carboxylate

Structure

ethyl 3-methylisoxazole-5-carboxylate
Name: ethyl 3-methylisoxazole-5-carboxylate
Synonyms:
General Information
Product Number: 63366790
CAS Registry Number: 63366-79-0
Name:
        5-​Isoxazolecarboxylic acid, 3-​methyl-​, ethyl ester
 
Chemical Formula: C7H9NO3
Exact Mass: 155.06
Molecular Weight: 155.15
m/z: 155.06 (100.0%), 156.06 (8.2%)
Elemental Analysis: C, 54.19; H, 5.85; N, 9.03; O, 30.94
 
InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)8-11-6/h4H,3H2,1-2H3
InChIKey: LPMIZTNZMHVVSS-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=NO1)C
 
Thermal Properties Value Condition Note
Melting Point 27-28 °C   (2)IC

Specification

98%

References
  1. (1) Giacomelli, Giampaolo; Tetrahedron 2003, V59(29), P5437-5440 CAPLUS
  2. (2) Harada, Kazuho; Chemical & Pharmaceutical Bulletin 1980, V28(11), P3296-303 CAPLUS
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