ChemSpider 2D Image | 3,3,5,6,6-Pentahydroxy-1,2,4-cyclohexanetrione | C6H6O8

3,3,5,6,6-Pentahydroxy-1,2,4-cyclohexanetrione

  • Molecular FormulaC6H6O8
  • Average mass206.107 Da
  • Monoisotopic mass206.006271 Da
  • ChemSpider ID95588130

More details:






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

1,2,4-Cyclohexanetrione, 3,3,5,6,6-pentahydroxy- [ACD/Index Name]
3,3,5,6,6-Pentahydroxy-1,2,4-cyclohexanetrione [ACD/IUPAC Name]
3,3,5,6,6-Pentahydroxy-1,2,4-cyclohexanetrione [French] [ACD/IUPAC Name]
3,3,5,6,6-Pentahydroxy-1,2,4-cyclohexantrion [German] [ACD/IUPAC Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 591.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 325.7±26.6 °C
Index of Refraction: 1.888
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 331.7±3.0 dyne/cm
Molar Volume: 77.7±3.0 cm3

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