ChemSpider 2D Image | 3-(Nitromethylene)oxetane | C4H5NO3

3-(Nitromethylene)oxetane

  • Molecular FormulaC4H5NO3
  • Average mass115.087 Da
  • Monoisotopic mass115.026939 Da
  • ChemSpider ID26232098

More details:

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

3-(Nitromethylen)oxetan [German] [ACD/IUPAC Name]
3-(Nitromethylene)oxetane [ACD/IUPAC Name]
3-(Nitrométhylène)oxétane [French] [ACD/IUPAC Name]
3-(Nitromethylidene)oxetane
922500-95-6 [RN]
MFCD12547195 [MDL number]
Oxetane, 3-(nitromethylene)- [ACD/Index Name]
[922500-95-6] [RN]
3-(NITROMETHYLIDENE)OXETANE|3-(NITROMETHYLIDENE)OXETANE
3-nitromethyleneoxetane
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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: 1.5±0.1 g/cm3
    Boiling Point: 243.1±33.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.1±3.0 kJ/mol
    Flash Point: 145.5±27.4 °C
    Index of Refraction: 1.655
    Molar Refractivity: 27.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.63
    ACD/LogD (pH 5.5): 0.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 27.33
    ACD/LogD (pH 7.4): 0.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 27.33
    Polar Surface Area: 55 Å2
    Polarizability: 11.0±0.5 10-24cm3
    Surface Tension: 76.9±3.0 dyne/cm
    Molar Volume: 75.5±3.0 cm3

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