ChemSpider 2D Image | cis-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid | C16H20O3

cis-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid

  • Molecular FormulaC16H20O3
  • Average mass260.328 Da
  • Monoisotopic mass260.141235 Da
  • ChemSpider ID21397030

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2R)-2-[2-(3-méthylphényl)-2-oxoéthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
cis-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
Cyclohexanecarboxylic acid, 2-[2-(3-methylphenyl)-2-oxoethyl]-, (1R,2R)- [ACD/Index Name]
(1R,2R)-2-[2-(3-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
735274-71-2 [RN]
736136-30-4 [RN]
cis-2-[2-(3-Methylphenyl)-2-oxoethyl]-cyclohexane-1-carboxylic acid
CIS-2-[2-(3-METHYLPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLICACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 437.4±18.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 232.5±17.7 °C
    Index of Refraction: 1.541
    Molar Refractivity: 72.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 3.21
    ACD/BCF (pH 5.5): 120.86
    ACD/KOC (pH 5.5): 762.57
    ACD/LogD (pH 7.4): 1.47
    ACD/BCF (pH 7.4): 2.22
    ACD/KOC (pH 7.4): 14.03
    Polar Surface Area: 54 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 232.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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