ChemSpider 2D Image | Ethyl 5-hydroxy-3-methyl-1,2-oxazole-4-carboxylate | C7H9NO4

Ethyl 5-hydroxy-3-methyl-1,2-oxazole-4-carboxylate

  • Molecular FormulaC7H9NO4
  • Average mass171.151 Da
  • Monoisotopic mass171.053162 Da
  • ChemSpider ID21489609

More details:

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

133827-50-6 [RN]
4-Isoxazolecarboxylic acid, 5-hydroxy-3-methyl-, ethyl ester [ACD/Index Name]
5-Hydroxy-3-méthyl-1,2-oxazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-hydroxy-3-methyl-1,2-oxazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-hydroxy-3-methyl-1,2-oxazol-4-carboxylat [German] [ACD/IUPAC Name]
ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate
MFCD00167260 [MDL number]
MFCD24394828 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 257.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 109.6±25.9 °C
    Index of Refraction: 1.503
    Molar Refractivity: 39.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 11.07
    ACD/KOC (pH 5.5): 179.39
    ACD/LogD (pH 7.4): 0.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.91
    Polar Surface Area: 73 Å2
    Polarizability: 15.8±0.5 10-24cm3
    Surface Tension: 47.2±3.0 dyne/cm
    Molar Volume: 134.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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