ChemSpider 2D Image | 9-cis-Acitretin | C21H26O3

9-cis-Acitretin

  • Molecular FormulaC21H26O3
  • Average mass326.429 Da
  • Monoisotopic mass326.188202 Da
  • ChemSpider ID23976639

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6Z,8E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid [ACD/IUPAC Name]
(2E,4E,6Z,8E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraensäure [German] [ACD/IUPAC Name]
2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (2E,4E,6Z,8E)- [ACD/Index Name]
419534-31-9 [RN]
9-cis-Acitretin
Acide (2E,4E,6Z,8E)-9-(4-méthoxy-2,3,6-triméthylphényl)-3,7-diméthyl-2,4,6,8-nonatétraénoïque [French] [ACD/IUPAC Name]
(2E,4E,6Z,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
9-cis Acitretin
9-cisAcitretin
MFCD12031377

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 521.3±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.6±3.0 kJ/mol
    Flash Point: 180.3±20.3 °C
    Index of Refraction: 1.570
    Molar Refractivity: 101.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.73
    ACD/LogD (pH 5.5): 4.51
    ACD/BCF (pH 5.5): 982.46
    ACD/KOC (pH 5.5): 2769.54
    ACD/LogD (pH 7.4): 2.71
    ACD/BCF (pH 7.4): 15.59
    ACD/KOC (pH 7.4): 43.96
    Polar Surface Area: 47 Å2
    Polarizability: 40.3±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 310.4±3.0 cm3

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