ChemSpider 2D Image | 5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone | C12H12N2O3

5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone

  • Molecular FormulaC12H12N2O3
  • Average mass232.235 Da
  • Monoisotopic mass232.084793 Da
  • ChemSpider ID57423235

More details:

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

1187055-95-3 [RN]
2-Cyclohexen-1-one, 5-methyl-3-(3-nitro-4-pyridinyl)- [ACD/Index Name]
5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
5-Methyl-3-(3-nitro-4-pyridinyl)-2-cyclohexen-1-one [ACD/IUPAC Name]
5-Méthyl-3-(3-nitro-4-pyridinyl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
5-Methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone
5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-en-1-one
5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enone(wxc02867)
MFCD29917034

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 385.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.5±3.0 kJ/mol
    Flash Point: 187.1±27.9 °C
    Index of Refraction: 1.581
    Molar Refractivity: 61.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.36
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.76
    ACD/KOC (pH 5.5): 215.37
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.77
    ACD/KOC (pH 7.4): 215.46
    Polar Surface Area: 76 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 52.6±3.0 dyne/cm
    Molar Volume: 183.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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