Found 6 results

Search term: CIFSKZDQGRCLBN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,3R)-3-Methylcyclohexanecarboxylic acid | C8H14O2

(1S,3R)-3-Methylcyclohexanecarboxylic acid

  • Molecular FormulaC8H14O2
  • Average mass142.196 Da
  • Monoisotopic mass142.099380 Da
  • ChemSpider ID32802423

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3R)-3-Methylcyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1S,3R)-3-Methylcyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,3R)-3-méthylcyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 3-methyl-, (1S,3R)- [ACD/Index Name]
(1S,3R)-3-Methylcyclohexane-1-carboxylic acid
1821742-33-9 [RN]
73873-48-0 [RN]
MFCD19230432

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 235.9±8.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 52.1±6.0 kJ/mol
    Flash Point: 110.7±13.1 °C
    Index of Refraction: 1.467
    Molar Refractivity: 38.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.27
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 6.64
    ACD/KOC (pH 5.5): 86.29
    ACD/LogD (pH 7.4): -0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.44
    Polar Surface Area: 37 Å2
    Polarizability: 15.3±0.5 10-24cm3
    Surface Tension: 35.7±3.0 dyne/cm
    Molar Volume: 138.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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