ChemSpider 2D Image | (1R,6R)-Tricyclo[3.1.0.0~2,6~]hexane-3,4-dione | C6H4O2

(1R,6R)-Tricyclo[3.1.0.02,6]hexane-3,4-dione

  • Molecular FormulaC6H4O2
  • Average mass108.095 Da
  • Monoisotopic mass108.021126 Da
  • ChemSpider ID75145512
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,6R)-Tricyclo[3.1.0.02,6]hexan-3,4-dion [German] [ACD/IUPAC Name]
(1R,6R)-Tricyclo[3.1.0.02,6]hexane-3,4-dione [ACD/IUPAC Name]
(1R,6R)-Tricyclo[3.1.0.02,6]hexane-3,4-dione [French] [ACD/IUPAC Name]
Tricyclo[3.1.0.02,6]hexane-3,4-dione, (1R,6R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 223.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 81.7±4.4 °C
Index of Refraction: 1.710
Molar Refractivity: 24.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.55
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.55
Polar Surface Area: 34 Å2
Polarizability: 9.5±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 61.5±3.0 cm3

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