ChemSpider 2D Image | 5-Benzoyl(2,2,3,3-~2~H_4_)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | C15H9D4NO3

5-Benzoyl(2,2,3,3-2H4)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

  • Molecular FormulaC15H9D4NO3
  • Average mass259.293 Da
  • Monoisotopic mass259.114655 Da
  • ChemSpider ID48060379

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrrolizine-2,3-d2-1-carboxylic acid, 5-benzoyl-2,3-dihydro-d2- [ACD/Index Name]
5-Benzoyl(2,2,3,3-2H4)-2,3-dihydro-1H-pyrrolizin-1-carbonsäure [German] [ACD/IUPAC Name]
5-Benzoyl(2,2,3,3-2H4)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-benzoyl(2,2,3,3-2H4)-2,3-dihydro-1H-pyrrolizine-1-carboxylique [French] [ACD/IUPAC Name]
1216451-53-4 [RN]
5-benzoyl-2,2,3,3-tetradeuterio-1H-pyrrolizine-1-carboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 493.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.1±3.0 kJ/mol
    Flash Point: 252.1±27.3 °C
    Index of Refraction: 1.659
    Molar Refractivity: 70.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 1.34
    ACD/BCF (pH 5.5): 3.12
    ACD/KOC (pH 5.5): 34.99
    ACD/LogD (pH 7.4): -0.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 59 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 54.8±7.0 dyne/cm
    Molar Volume: 191.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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