ChemSpider 2D Image | (1R,5S,6r)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid | C6H8O3

(1R,5S,6r)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid

  • Molecular FormulaC6H8O3
  • Average mass128.126 Da
  • Monoisotopic mass128.047348 Da
  • ChemSpider ID29784291

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5S,6r)-3-Oxabicyclo[3.1.0]hexan-6-carbonsäure [German] [ACD/IUPAC Name]
(1R,5S,6r)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid [ACD/IUPAC Name]
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, (1R,5S)- [ACD/Index Name]
Acide (1R,5S,6r)-3-oxabicyclo[3.1.0]hexane-6-carboxylique [French] [ACD/IUPAC Name]
(1R,5S,6r)-rel-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
(1S,5R)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
55780-88-6 [RN]
Exo-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
MFCD19228486
trans-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 281.2±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±6.0 kJ/mol
    Flash Point: 126.5±18.9 °C
    Index of Refraction: 1.548
    Molar Refractivity: 28.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.83
    ACD/LogD (pH 5.5): -1.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.11
    ACD/LogD (pH 7.4): -2.81
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 47 Å2
    Polarizability: 11.4±0.5 10-24cm3
    Surface Tension: 55.4±3.0 dyne/cm
    Molar Volume: 90.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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