ChemSpider 2D Image | 5-Hydroxy-3,4-dioxo-1,5-cyclohexadiene-1-carboxylic acid | C7H4O5

5-Hydroxy-3,4-dioxo-1,5-cyclohexadiene-1-carboxylic acid

  • Molecular FormulaC7H4O5
  • Average mass168.104 Da
  • Monoisotopic mass168.005875 Da
  • ChemSpider ID35801841

More details:

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

1,5-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-3,4-dioxo- [ACD/Index Name]
5-Hydroxy-3,4-dioxo-1,5-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
5-Hydroxy-3,4-dioxo-1,5-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-hydroxy-3,4-dioxo-1,5-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]
65271-60-5 [RN]
MFCD20640403

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

Density: 1.8±0.1 g/cm3
Boiling Point: 286.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.0±6.0 kJ/mol
Flash Point: 141.5±23.8 °C
Index of Refraction: 1.689
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 113.8±3.0 dyne/cm
Molar Volume: 91.3±3.0 cm3

Click to predict properties on the Chemicalize site


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