ChemSpider 2D Image | Caronic anhydride | C7H8O3

Caronic anhydride

  • Molecular FormulaC7H8O3
  • Average mass140.137 Da
  • Monoisotopic mass140.047348 Da
  • ChemSpider ID23089710

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-6,6-Dimethyl-3-oxabicyclo[3.1.0]hexan-2,4-dion [German] [ACD/IUPAC Name]
(1R,5S)-6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione [ACD/IUPAC Name]
(1R,5S)-6,6-Diméthyl-3-oxabicyclo[3.1.0]hexane-2,4-dione [French] [ACD/IUPAC Name]
3-Oxabicyclo[3.1.0]hexane-2,4-dione, 6,6-dimethyl-, (1R,5S)- [ACD/Index Name]
Caronic anhydride
T35 DVOVTJ B1 B1 &&(1R,5S)- Form [WLN]
6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione [ACD/IUPAC Name]
MFCD09032992
OS-1065

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

MFCD09751198 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 246.3±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.3±3.0 kJ/mol
    Flash Point: 112.7±15.9 °C
    Index of Refraction: 1.499
    Molar Refractivity: 32.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.42
    ACD/LogD (pH 5.5): -0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.28
    ACD/LogD (pH 7.4): -0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 18.28
    Polar Surface Area: 43 Å2
    Polarizability: 12.8±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 109.9±3.0 cm3

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