ChemSpider 2D Image | 4-Oxo(19,19,19-~2~H_3_)retinoic acid | C20H23D3O3

4-Oxo(19,19,19-2H3)retinoic acid

  • Molecular FormulaC20H23D3O3
  • Average mass317.437 Da
  • Monoisotopic mass317.207031 Da
  • ChemSpider ID48060377

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

4-Oxo(19,19,19-2H3)retinoic acid [ACD/IUPAC Name]
4-Oxo(19,19,19-2H3)rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid-19,19,19-d3, 4-oxo- [ACD/Index Name]
(2E,4E,6E,8E)-3-methyl-7-(trideuteriomethyl)-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
1346606-26-5 [RN]
all-trans4-ketoretinoicacid-(9-methyl)-d3

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 509.9±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 85.4±6.0 kJ/mol
    Flash Point: 276.3±20.8 °C
    Index of Refraction: 1.565
    Molar Refractivity: 95.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.42
    ACD/LogD (pH 5.5): 3.40
    ACD/BCF (pH 5.5): 142.25
    ACD/KOC (pH 5.5): 697.97
    ACD/LogD (pH 7.4): 1.60
    ACD/BCF (pH 7.4): 2.26
    ACD/KOC (pH 7.4): 11.09
    Polar Surface Area: 54 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 42.2±3.0 dyne/cm
    Molar Volume: 293.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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