ChemSpider 2D Image | 5-Methyl-1,2-oxazole-4-carbonitrile | C5H4N2O

5-Methyl-1,2-oxazole-4-carbonitrile

  • Molecular FormulaC5H4N2O
  • Average mass108.098 Da
  • Monoisotopic mass108.032364 Da
  • ChemSpider ID27756201

More details:

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

260555-29-1 [RN]
4-Isoxazolecarbonitrile, 5-methyl- [ACD/Index Name]
5-Methyl-1,2-oxazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Methyl-1,2-oxazole-4-carbonitrile [ACD/IUPAC Name]
5-Méthyl-1,2-oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-methyl-4-isoxazolecarbonitrile
5-Methylisoxazole-4-carbonitrile
MFCD22412351 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 238.2±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.5±3.0 kJ/mol
    Flash Point: 97.8±21.8 °C
    Index of Refraction: 1.488
    Molar Refractivity: 26.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.02
    ACD/LogD (pH 5.5): 0.35
    ACD/BCF (pH 5.5): 1.09
    ACD/KOC (pH 5.5): 36.92
    ACD/LogD (pH 7.4): 0.35
    ACD/BCF (pH 7.4): 1.09
    ACD/KOC (pH 7.4): 36.92
    Polar Surface Area: 50 Å2
    Polarizability: 10.4±0.5 10-24cm3
    Surface Tension: 50.1±5.0 dyne/cm
    Molar Volume: 91.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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