ChemSpider 2D Image | cis-3-Hydroxy-3-methylcyclobutanecarboxylic acid | C6H10O3

cis-3-Hydroxy-3-methylcyclobutanecarboxylic acid

  • Molecular FormulaC6H10O3
  • Average mass130.142 Da
  • Monoisotopic mass130.062988 Da
  • ChemSpider ID29784123

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1314970-28-9 [RN]
Acide cis-3-hydroxy-3-méthylcyclobutanecarboxylique [French] [ACD/IUPAC Name]
cis-3-Hydroxy-3-methylcyclobutancarbonsäure [German] [ACD/IUPAC Name]
cis-3-Hydroxy-3-methylcyclobutanecarboxylic acid [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-hydroxy-3-methyl-, cis- [ACD/Index Name]
(1r,3s)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
1384855-41-7 [RN]
3-Hydroxy-3-methyl-cyclobutanecarboxylic acid
MFCD23106032

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 270.4±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 59.0±6.0 kJ/mol
    Flash Point: 131.6±21.9 °C
    Index of Refraction: 1.536
    Molar Refractivity: 30.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.26
    ACD/LogD (pH 5.5): -1.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.15
    ACD/LogD (pH 7.4): -2.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 12.2±0.5 10-24cm3
    Surface Tension: 59.7±3.0 dyne/cm
    Molar Volume: 98.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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