ChemSpider 2D Image | 6-{3-(Adamantan-1-yl)-4-[(~2~H_3_)methyloxy]phenyl}-2-naphthoic acid | C28H25D3O3

6-{3-(Adamantan-1-yl)-4-[(2H3)methyloxy]phenyl}-2-naphthoic acid

  • Molecular FormulaC28H25D3O3
  • Average mass415.539 Da
  • Monoisotopic mass415.222687 Da
  • ChemSpider ID48059535

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Naphthalenecarboxylic acid, 6-[4-(methyl-d3-oxy)-3-tricyclo[3.3.1.13,7]dec-1-ylphenyl]- [ACD/Index Name]
6-{3-(Adamantan-1-yl)-4-[(2H3)methyloxy]phenyl}-2-naphthoesäure [German] [ACD/IUPAC Name]
6-{3-(Adamantan-1-yl)-4-[(2H3)methyloxy]phenyl}-2-naphthoic acid [ACD/IUPAC Name]
Acide 6-{3-(adamantan-1-yl)-4-[(2H3)méthyloxy]phényl}-2-naphtoïque [French] [ACD/IUPAC Name]
1276433-89-6 [RN]
6-[3-(1-adamantyl)-4-(trideuteriomethoxy)phenyl]naphthalene-2-carboxylic acid
ADAPALENE-D3

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 606.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.8±3.0 kJ/mol
    Flash Point: 205.9±25.0 °C
    Index of Refraction: 1.655
    Molar Refractivity: 122.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 8.04
    ACD/LogD (pH 5.5): 5.93
    ACD/BCF (pH 5.5): 9348.75
    ACD/KOC (pH 5.5): 10406.30
    ACD/LogD (pH 7.4): 4.36
    ACD/BCF (pH 7.4): 251.15
    ACD/KOC (pH 7.4): 279.56
    Polar Surface Area: 47 Å2
    Polarizability: 48.6±0.5 10-24cm3
    Surface Tension: 55.0±3.0 dyne/cm
    Molar Volume: 334.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement