ChemSpider 2D Image | 3-(Nitromethyl)-3-oxetanol | C4H7NO4

3-(Nitromethyl)-3-oxetanol

  • Molecular FormulaC4H7NO4
  • Average mass133.103 Da
  • Monoisotopic mass133.037506 Da
  • ChemSpider ID68012658

More details:






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

3-(Nitromethyl)-3-oxetanol [German] [ACD/IUPAC Name]
3-(Nitromethyl)-3-oxetanol [ACD/IUPAC Name]
3-(Nitrométhyl)-3-oxétanol [French] [ACD/IUPAC Name]
3-Oxetanol, 3-(nitromethyl)- [ACD/Index Name]
1419518-51-6 [RN]
3-(nitromethyl)oxetan-3-ol
MFCD31618077

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.5±0.1 g/cm3
    Boiling Point: 318.6±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±6.0 kJ/mol
    Flash Point: 146.5±20.9 °C
    Index of Refraction: 1.518
    Molar Refractivity: 27.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.70
    ACD/LogD (pH 5.5): -0.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.58
    ACD/LogD (pH 7.4): -0.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.67
    Polar Surface Area: 75 Å2
    Polarizability: 11.0±0.5 10-24cm3
    Surface Tension: 64.5±3.0 dyne/cm
    Molar Volume: 91.3±3.0 cm3

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