ChemSpider 2D Image | 4-(3,4-Dihydroxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)-4-cyclopentene-1,3-dione | C17H12O6

4-(3,4-Dihydroxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)-4-cyclopentene-1,3-dione

  • Molecular FormulaC17H12O6
  • Average mass312.274 Da
  • Monoisotopic mass312.063385 Da
  • ChemSpider ID78434845

More details:

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

4-(3,4-Dihydroxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)-4-cyclopenten-1,3-dion [German] [ACD/IUPAC Name]
4-(3,4-Dihydroxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)-4-cyclopentene-1,3-dione [ACD/IUPAC Name]
4-(3,4-Dihydroxyphényl)-2-hydroxy-2-(4-hydroxyphényl)-4-cyclopentène-1,3-dione [French] [ACD/IUPAC Name]
4-Cyclopentene-1,3-dione, 4-(3,4-dihydroxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
Involutone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 358.1±28.0 °C
Index of Refraction: 1.759
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 82.18
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.19
ACD/KOC (pH 7.4): 78.85
Polar Surface Area: 115 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 96.2±3.0 dyne/cm
Molar Volume: 192.1±3.0 cm3

Click to predict properties on the Chemicalize site


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