ChemSpider 2D Image | 3-(1,5-Dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)propanoic acid | C11H15N3O6

3-(1,5-Dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)propanoic acid

  • Molecular FormulaC11H15N3O6
  • Average mass285.253 Da
  • Monoisotopic mass285.096100 Da
  • ChemSpider ID21835668

More details:

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

3-(1,5-Dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)propanoic acid [ACD/IUPAC Name]
3-(1,5-Dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)propansäure [German] [ACD/IUPAC Name]
3-Azabicyclo[3.3.1]non-6-ene-3-propanoic acid, 1,5-dinitro- [ACD/Index Name]
Acide 3-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-én-3-yl)propanoïque [French] [ACD/IUPAC Name]
3-(1,5-Dinitro-3-aza-bicyclo[3.3.1]non-6-en-3-yl)-propionic acid
372518-47-3 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 505.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 84.8±6.0 kJ/mol
    Flash Point: 259.4±30.1 °C
    Index of Refraction: 1.607
    Molar Refractivity: 66.4±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): -0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.42
    ACD/LogD (pH 7.4): -1.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 132 Å2
    Polarizability: 26.3±0.5 10-24cm3
    Surface Tension: 70.9±5.0 dyne/cm
    Molar Volume: 192.3±5.0 cm3

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