ChemSpider 2D Image | ethyl 5-oxo-4H-1,2-oxazole-3-carboxylate | C6H7NO4

ethyl 5-oxo-4H-1,2-oxazole-3-carboxylate

  • Molecular FormulaC6H7NO4
  • Average mass157.124 Da
  • Monoisotopic mass157.037506 Da
  • ChemSpider ID24214570

More details:

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

3-Isoxazolecarboxylic acid, 4,5-dihydro-5-oxo-, ethyl ester [ACD/Index Name]
5-Oxo-4,5-dihydro-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
70432-25-6 [RN]
Ethyl 5-oxo-4,5-dihydro-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
ethyl 5-oxo-4,5-dihydroisoxazole-3-carboxylate
ethyl 5-oxo-4H-1,2-oxazole-3-carboxylate
Ethyl-5-oxo-4,5-dihydro-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
3-ISOXAZOLECARBOXYLIC ACID 4,5-DIHYDRO-5-OXO-,ETHYL ESTER
3-Isoxazolecarboxylic acid, 4,5-dihydro-5-oxo-, ethyl ester (9CI)
AG-G-74975
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 205.7±23.0 °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: 91.0±17.1 °C
    Index of Refraction: 1.538
    Molar Refractivity: 35.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.15
    ACD/LogD (pH 5.5): 0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 29.08
    ACD/LogD (pH 7.4): 0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 29.08
    Polar Surface Area: 65 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 47.1±7.0 dyne/cm
    Molar Volume: 111.9±7.0 cm3

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