ChemSpider 2D Image | 4-[(~2~H_9_)-4-Biphenylyl]-4-oxobutanoic acid | C16H5D9O3

4-[(2H9)-4-Biphenylyl]-4-oxobutanoic acid

  • Molecular FormulaC16H5D9O3
  • Average mass263.336 Da
  • Monoisotopic mass263.150787 Da
  • ChemSpider ID48061510

  • Non-standard isotope - Non-standard isotope

More details:

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

[1,1'-Biphenyl]-2,2',3,3',4',5,5',6,6'-d9-4-butanoic acid, γ-oxo- [ACD/Index Name]
4-[(2H9)-4-Biphenylyl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(2H9)-4-Biphenylyl]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(2H9)-4-biphénylyl]-4-oxobutanoïque [French] [ACD/IUPAC Name]
1189940-96-2 [RN]
4-oxo-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]butanoic acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 470.2±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±3.0 kJ/mol
    Flash Point: 252.3±20.5 °C
    Index of Refraction: 1.585
    Molar Refractivity: 71.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 2.21
    ACD/BCF (pH 5.5): 16.39
    ACD/KOC (pH 5.5): 134.64
    ACD/LogD (pH 7.4): 0.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.12
    Polar Surface Area: 54 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 49.4±3.0 dyne/cm
    Molar Volume: 213.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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