ChemSpider 2D Image | cis-3-Methylcyclobutanecarboxylic acid | C6H10O2

cis-3-Methylcyclobutanecarboxylic acid

  • Molecular FormulaC6H10O2
  • Average mass114.142 Da
  • Monoisotopic mass114.068077 Da
  • ChemSpider ID24593847

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

87863-08-9 [RN]
Acide cis-3-méthylcyclobutanecarboxylique [French] [ACD/IUPAC Name]
cis-3-Methylcyclobutancarbonsäure [German] [ACD/IUPAC Name]
cis-3-Methylcyclobutanecarboxylic acid [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-methyl-, cis- [ACD/Index Name]
(1r,3s)-3-methylcyclobutane-1-carboxylic acid
[87863-08-9] [RN]
3-Methylcyclobutanecarboxylic acid [ACD/IUPAC Name]
87863-09-0 [RN]
Chemistry 7182
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 194.0±8.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 47.4±6.0 kJ/mol
    Flash Point: 87.7±13.1 °C
    Index of Refraction: 1.479
    Molar Refractivity: 29.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.14
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.25
    ACD/KOC (pH 5.5): 24.69
    ACD/LogD (pH 7.4): -1.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 11.6±0.5 10-24cm3
    Surface Tension: 39.5±3.0 dyne/cm
    Molar Volume: 103.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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