ChemSpider 2D Image | 3,3,4,5,6,6-Hexahydroxy-4-cyclohexene-1,2-dione | C6H6O8

3,3,4,5,6,6-Hexahydroxy-4-cyclohexene-1,2-dione

  • Molecular FormulaC6H6O8
  • Average mass206.107 Da
  • Monoisotopic mass206.006271 Da
  • ChemSpider ID35802452

More details:






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

3,3,4,5,6,6-Hexahydroxy-4-cyclohexen-1,2-dion [German] [ACD/IUPAC Name]
3,3,4,5,6,6-Hexahydroxy-4-cyclohexene-1,2-dione [ACD/IUPAC Name]
3,3,4,5,6,6-Hexahydroxy-4-cyclohexène-1,2-dione [French] [ACD/IUPAC Name]
4-Cyclohexene-1,2-dione, 3,3,4,5,6,6-hexahydroxy- [ACD/Index Name]
3,3,4,5,6,6-Hexahydroxycyclohex-4-ene-1,2-dione
67548-74-7 [RN]

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

Density: 3.1±0.1 g/cm3
Boiling Point: 751.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.9±6.0 kJ/mol
Flash Point: 422.1±29.4 °C
Index of Refraction: 2.148
Molar Refractivity: 36.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.48
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.04
Polar Surface Area: 156 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 542.5±3.0 dyne/cm
Molar Volume: 67.5±3.0 cm3

Click to predict properties on the Chemicalize site






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