ChemSpider 2D Image | [(1s,3s)-3-Hydroxyadamantan-1-yl]acetic acid | C12H18O3

[(1s,3s)-3-Hydroxyadamantan-1-yl]acetic acid

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID64858205

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

[(1s,3s)-3-Hydroxyadamantan-1-yl]acetic acid [ACD/IUPAC Name]
[(1s,3s)-3-Hydroxyadamantan-1-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [(1s,3s)-3-hydroxyadamantan-1-yl]acétique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-hydroxy- [ACD/Index Name]
17768-36-4 [RN]
3-Hydroxy-1-adamantaneacetic acid
3-Hydroxyadamantane-1-acetic acid

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

MFCD00167797 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 375.3±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±6.0 kJ/mol
    Flash Point: 195.0±16.9 °C
    Index of Refraction: 1.606
    Molar Refractivity: 54.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 25.37
    ACD/LogD (pH 7.4): -0.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 69.5±3.0 dyne/cm
    Molar Volume: 158.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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