ChemSpider 2D Image | 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one | C20H16O6

3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one

  • Molecular FormulaC20H16O6
  • Average mass352.337 Da
  • Monoisotopic mass352.094696 Da
  • ChemSpider ID24691934

More details:

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

112516-43-5 [RN]
3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-on [German] [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxyphényl)-8,8-diméthyl-4H,8H-pyrano[2,3-f]chromén-4-one [French] [ACD/IUPAC Name]
4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl- [ACD/Index Name]
3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI
3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Citrusinol

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 607.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 222.2±25.0 °C
Index of Refraction: 1.693
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 388.01
ACD/KOC (pH 5.5): 2398.80
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 38.83
ACD/KOC (pH 7.4): 240.05
Polar Surface Area: 96 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 240.7±3.0 cm3

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