ChemSpider 2D Image | (1S,2R,6S,7S)-4,10-Dioxatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione | C8H6O4

(1S,2R,6S,7S)-4,10-Dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

  • Molecular FormulaC8H6O4
  • Average mass166.131 Da
  • Monoisotopic mass166.026611 Da
  • ChemSpider ID21248526

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,2R,6S,7S)-4,10-Dioxatricyclo[5.2.1.02,6]dec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(1S,2R,6S,7S)-4,10-Dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione [ACD/IUPAC Name]
(1S,2R,6S,7S)-4,10-Dioxatricyclo[5.2.1.02,6]déc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4S,7S,7aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 372.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 172.2±27.9 °C
Index of Refraction: 1.584
Molar Refractivity: 36.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.16
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.16
Polar Surface Area: 53 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 107.8±3.0 cm3

Click to predict properties on the Chemicalize site


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