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CAS Number: 10068-07-2
methyl 3-oxo-2,3-dihydroisoxazole-5-carboxylate

Structure

methyl 3-oxo-2,3-dihydroisoxazole-5-carboxylate
Name: methyl 3-oxo-2,3-dihydroisoxazole-5-carboxylate
Synonyms:
General Information
Product Number: 10068072
CAS Registry Number: 10068-07-2
Name:
5-​Isoxazolecarboxylic acid, 2,​3-​dihydro-​3-​oxo-​, methyl ester
5-​Isoxazolecarboxylic acid, 3-​hydroxy-​, methyl ester (7CI,​8CI); 3-​Hydroxyisoxazole-​5-​carboxylic acid methyl ester; Methyl 3-​hydroxy-​1,​2-​oxazole-​5-​carboxylate; Methyl 3-​hydroxyisoxazole-​5-​carboxylate 
 
Chemical Formula: C5H5NO4
Exact Mass: 143.02
Molecular Weight: 143.10
m/z: 143.02 (100.0%), 144.03 (5.6%)
Elemental Analysis: C, 41.97; H, 3.52; N, 9.79; O, 44.72
 
InChI: InChI=1S/C5H5NO4/c1-9-5(8)3-2-4(7)6-10-3/h2H,1H3,(H,6,7)
InChIKey: BBFWUUBQSXVHHZ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=O)NO1
 
Thermal Properties Value Condition Note
Melting Point 167-168 °C Solv: benzene (71-43-2); hexane (110-54-3) (2)IC
Melting Point 166-168 °C   (3)CAS
Melting Point 166-168 °C Solv: benzene (71-43-2) (4)CAS
Melting Point 165 °C   (1)IC

Specification

98%

References
  1. (1) Bennouna, Chakib; Bulletin de la Societe Chimique de France 1980, (9-10, Pt. 2), P478-80 CAPLUS
  2. (2) Hines, John W., Jr.; Journal of Medicinal Chemistry 1977, V20(7), P965-7 CAPLUS
  3. (3) NL 6516871 1966 CAPLUS
  4. (4) Tomita, Kazuo; JP 43016136 B4 1968 CAPLUS
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