ChemSpider 2D Image | 2-Hydroxy-3-oxo-1,4,6-cycloheptatriene-1,4-dicarboxylic acid | C9H6O6

2-Hydroxy-3-oxo-1,4,6-cycloheptatriene-1,4-dicarboxylic acid

  • Molecular FormulaC9H6O6
  • Average mass210.140 Da
  • Monoisotopic mass210.016434 Da
  • ChemSpider ID60803388

More details:

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

1,4,6-Cycloheptatriene-1,4-dicarboxylic acid, 2-hydroxy-3-oxo- [ACD/Index Name]
2-Hydroxy-3-oxo-1,4,6-cycloheptatrien-1,4-dicarbonsäure [German] [ACD/IUPAC Name]
2-Hydroxy-3-oxo-1,4,6-cycloheptatriene-1,4-dicarboxylic acid [ACD/IUPAC Name]
Acide 2-hydroxy-3-oxo-1,4,6-cycloheptatriène-1,4-dicarboxylique [French] [ACD/IUPAC Name]
103028-41-7 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 356.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.6±6.0 kJ/mol
Flash Point: 183.4±24.4 °C
Index of Refraction: 1.703
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -4.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 113.9±3.0 dyne/cm
Molar Volume: 116.0±3.0 cm3

Click to predict properties on the Chemicalize site


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