ChemSpider 2D Image | oxazole-4-carbonitrile | C4H2N2O

oxazole-4-carbonitrile

  • Molecular FormulaC4H2N2O
  • Average mass94.072 Da
  • Monoisotopic mass94.016716 Da
  • ChemSpider ID21473404

More details:

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

1,3-Oxazol-4-carbonitril [German] [ACD/IUPAC Name]
1,3-Oxazole-4-carbonitrile [ACD/IUPAC Name]
1,3-Oxazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Oxazolecarbonitrile [ACD/Index Name]
55242-84-7 [RN]
MFCD08059302 [MDL number]
oxazole-4-carbonitrile
"1,3-OXAZOLE-4-CARBONITRILE"
"1,3-OXAZOLE-4-CARBONITRILE"|"1,3-OXAZOLE-4-CARBONITRILE"
[55242-84-7] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 198.5±13.0 °C at 760 mmHg
    Vapour Pressure: 0.4±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.5±3.0 kJ/mol
    Flash Point: 73.9±19.8 °C
    Index of Refraction: 1.490
    Molar Refractivity: 21.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.44
    ACD/LogD (pH 5.5): -0.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.72
    ACD/LogD (pH 7.4): -0.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.72
    Polar Surface Area: 50 Å2
    Polarizability: 8.6±0.5 10-24cm3
    Surface Tension: 55.2±5.0 dyne/cm
    Molar Volume: 74.8±5.0 cm3

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