ChemSpider 2D Image | 4-HYDROXYISOTRETINOIN | C20H28O3

4-HYDROXYISOTRETINOIN

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID48062521

  • Double-bond stereo - Double-bond stereo

More details:

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

(13cis)-4-Hydroxyretinoic acid [ACD/IUPAC Name]
(13cis)-4-Hydroxyrétinoïque acide [French] [ACD/IUPAC Name]
4-HYDROXYISOTRETINOIN
75281-25-3 [RN]
Retinoic acid, 4-hydroxy-, (13cis)- [ACD/Index Name]
(2Z,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
4-hydroxy-13-cis-retinoic acid

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

B68UKK8PG0 [DBID]
UNII:B68UKK8PG0 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 506.5±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 89.4±6.0 kJ/mol
    Flash Point: 274.2±21.9 °C
    Index of Refraction: 1.574
    Molar Refractivity: 97.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.93
    ACD/LogD (pH 5.5): 3.95
    ACD/BCF (pH 5.5): 377.39
    ACD/KOC (pH 5.5): 1433.06
    ACD/LogD (pH 7.4): 2.15
    ACD/BCF (pH 7.4): 6.04
    ACD/KOC (pH 7.4): 22.92
    Polar Surface Area: 58 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 294.1±3.0 cm3

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