ChemSpider 2D Image | 3,4,5-Trihydroxy-1,3-cyclohexadiene-1-carboxylic acid | C7H8O5

3,4,5-Trihydroxy-1,3-cyclohexadiene-1-carboxylic acid

  • Molecular FormulaC7H8O5
  • Average mass172.135 Da
  • Monoisotopic mass172.037170 Da
  • ChemSpider ID35784239

More details:

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

1,3-Cyclohexadiene-1-carboxylic acid, 3,4,5-trihydroxy- [ACD/Index Name]
3,4,5-Trihydroxy-1,3-cyclohexadien-1-carbonsäure [German] [ACD/IUPAC Name]
3,4,5-Trihydroxy-1,3-cyclohexadiene-1-carboxylic acid [ACD/IUPAC Name]
Acide 3,4,5-trihydroxy-1,3-cyclohexadiène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 391.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.1±6.0 kJ/mol
Flash Point: 204.5±24.4 °C
Index of Refraction: 1.777
Molar Refractivity: 37.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 150.4±3.0 dyne/cm
Molar Volume: 90.2±3.0 cm3

Click to predict properties on the Chemicalize site


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