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ChemSpider 2D Image | 4-Hydroxy-4-(nitromethyl)cyclohexanone | C7H11NO4

4-Hydroxy-4-(nitromethyl)cyclohexanone

  • Molecular FormulaC7H11NO4
  • Average mass173.167 Da
  • Monoisotopic mass173.068802 Da
  • ChemSpider ID24609071

More details:

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

4-Hydroxy-4-(nitromethyl)cyclohexanon [German] [ACD/IUPAC Name]
4-Hydroxy-4-(nitromethyl)cyclohexanone [ACD/IUPAC Name]
4-Hydroxy-4-(nitrométhyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 4-hydroxy-4-(nitromethyl)- [ACD/Index Name]
[87875-48-7] [RN]
4-(Hydroxy-4-nitromethyl)-cyclohexanone
4-hydroxy-4-(nitromethyl)cyclohexan-1-one
4-hydroxy-4-(nitromethyl)-cyclohexanone
87875-48-7 [RN]
MFCD12828249 [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: 354.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±6.0 kJ/mol
    Flash Point: 160.8±12.2 °C
    Index of Refraction: 1.517
    Molar Refractivity: 40.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.37
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.13
    ACD/LogD (pH 7.4): -0.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.48
    Polar Surface Area: 83 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 132.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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