ChemSpider 2D Image | 5-(Isoxazol-3-yl)oxazole-4-carboxylic acid | C7H4N2O4

5-(Isoxazol-3-yl)oxazole-4-carboxylic acid

  • Molecular FormulaC7H4N2O4
  • Average mass180.118 Da
  • Monoisotopic mass180.017105 Da
  • ChemSpider ID26053675

More details:

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

1250404-35-3 [RN]
4-Oxazolecarboxylic acid, 5-(3-isoxazolyl)- [ACD/Index Name]
5-(1,2-Oxazol-3-yl)-1,3-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(1,2-Oxazol-3-yl)-1,3-oxazole-4-carboxylic acid [ACD/IUPAC Name]
5-(Isoxazol-3-yl)oxazole-4-carboxylic acid
Acide 5-(1,2-oxazol-3-yl)-1,3-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
MFCD16112428 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 407.4±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 200.2±24.6 °C
    Index of Refraction: 1.560
    Molar Refractivity: 38.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.40
    ACD/LogD (pH 5.5): -2.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 15.3±0.5 10-24cm3
    Surface Tension: 65.2±3.0 dyne/cm
    Molar Volume: 119.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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