ChemSpider 2D Image | 4-Oxo-4-[(~2~H_4_)-3-pyridinyl]butanoic acid | C9H5D4NO3

4-Oxo-4-[(2H4)-3-pyridinyl]butanoic acid

  • Molecular FormulaC9H5D4NO3
  • Average mass183.197 Da
  • Monoisotopic mass183.083344 Da
  • ChemSpider ID48063075

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Oxo-4-[(2H4)-3-pyridinyl]butanoic acid [ACD/IUPAC Name]
4-Oxo-4-[(2H4)-3-pyridinyl]butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-[(2H4)-3-pyridinyl]butanoïque [French] [ACD/IUPAC Name]
Pyridine-2,4,5,6-d4-3-butanoic acid, γ-oxo- [ACD/Index Name]
1623019-52-2 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 405.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.3±3.0 kJ/mol
    Flash Point: 199.2±23.2 °C
    Index of Refraction: 1.550
    Molar Refractivity: 45.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.09
    ACD/LogD (pH 5.5): -1.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.56
    ACD/LogD (pH 7.4): -2.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 141.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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