ChemSpider 2D Image | Methyl 5-oxo-2,5-dihydro-1,2-oxazole-4-carboxylate | C5H5NO4

Methyl 5-oxo-2,5-dihydro-1,2-oxazole-4-carboxylate

  • Molecular FormulaC5H5NO4
  • Average mass143.098 Da
  • Monoisotopic mass143.021851 Da
  • ChemSpider ID23979023

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Isoxazolecarboxylic acid, 2,5-dihydro-5-oxo-, methyl ester [ACD/Index Name]
5-Oxo-2,5-dihydro-1,2-oxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-oxo-2,5-dihydro-1,2-oxazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-oxo-2,5-dihydro-1,2-oxazol-4-carboxylat [German] [ACD/IUPAC Name]
166899-06-5 [RN]
4-Isoxazolecarboxylic acid, 2,5-dihydro-5-oxo-, methyl ester (9CI)
4-Isoxazolecarboxylicacid,2,5-dihydro-5-oxo-,methylester(9CI)
methyl 5-oxo-2,5-dihydroisoxazole-4-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 206.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.2±3.0 kJ/mol
Flash Point: 78.4±30.1 °C
Index of Refraction: 1.494
Molar Refractivity: 29.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.67
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.67
Polar Surface Area: 65 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 101.2±3.0 cm3

Click to predict properties on the Chemicalize site


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