ChemSpider 2D Image | (1R,2R,6S,7R)-4-Oxatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione | C10H10O3

(1R,2R,6S,7R)-4-Oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

  • Molecular FormulaC10H10O3
  • Average mass178.185 Da
  • Monoisotopic mass178.062988 Da
  • ChemSpider ID28537002

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,6S,7R)-4-Oxatricyclo[5.2.2.02,6]undec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(1R,2R,6S,7R)-4-Oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione [ACD/IUPAC Name]
(1R,2R,6S,7R)-4-Oxatricyclo[5.2.2.02,6]undéc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
(3aR,4R,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione
4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4R,7R,7aS)- [ACD/Index Name]
(1R,2R,6S,7R)-4-oxatricyclo[5.2.2.0²,?]undec-8-ene-3,5-dione
(3aR,4R,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzo[b]furan-1,3-dione
1620738-28-4 [RN]
3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione
MFCD00151124 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 340.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.4±3.0 kJ/mol
    Flash Point: 166.5±25.1 °C
    Index of Refraction: 1.563
    Molar Refractivity: 43.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.27
    ACD/KOC (pH 5.5): 41.41
    ACD/LogD (pH 7.4): 0.44
    ACD/BCF (pH 7.4): 1.27
    ACD/KOC (pH 7.4): 41.41
    Polar Surface Area: 43 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 47.0±3.0 dyne/cm
    Molar Volume: 134.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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