ChemSpider 2D Image | BEXAROTENE-D4 | C24H24D4O2

BEXAROTENE-D4

  • Molecular FormulaC24H24D4O2
  • Average mass352.503 Da
  • Monoisotopic mass352.234039 Da
  • ChemSpider ID28578697

  • Non-standard isotope - Non-standard isotope

More details:

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

4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)vinyl](2H4)benzoic acid [ACD/IUPAC Name]
4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalinyl)vinyl](2H4)benzoesäure [German] [ACD/IUPAC Name]
Acide 4-[1-(3,5,5,8,8-pentaméthyl-5,6,7,8-tétrahydro-2-naphtalényl)vinyl](2H4)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,5,6-d4 acid, 4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]- [ACD/Index Name]
BEXAROTENE-D4
153559-49-0 [RN]
2,3,5,6-tetradeuterio-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
2182068-00-2 [RN]
4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethyl]-benzoic acid
4-[1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]-benzoic acid-d4
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 489.7±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.6±3.0 kJ/mol
    Flash Point: 229.5±23.1 °C
    Index of Refraction: 1.556
    Molar Refractivity: 107.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 8.55
    ACD/LogD (pH 5.5): 6.41
    ACD/BCF (pH 5.5): 19757.74
    ACD/KOC (pH 5.5): 16198.78
    ACD/LogD (pH 7.4): 4.91
    ACD/BCF (pH 7.4): 631.27
    ACD/KOC (pH 7.4): 517.56
    Polar Surface Area: 37 Å2
    Polarizability: 42.6±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 334.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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