ChemSpider 2D Image | 3-(2,4-Dihydroxyphenyl)-8,8-dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one | C20H16O5

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

  • Molecular FormulaC20H16O5
  • Average mass336.338 Da
  • Monoisotopic mass336.099762 Da
  • ChemSpider ID24643673

More details:

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

184584-82-5 [RN]
2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 3-(2,4-dihydroxyphenyl)-8,8-dimethyl- [ACD/Index Name]
3-(2,4-Dihydroxyphenyl)-8,8-dimethyl-2H,8H-pyrano[2,3-f]chromen-2-on [German] [ACD/IUPAC Name]
3-(2,4-Dihydroxyphenyl)-8,8-dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one [ACD/IUPAC Name]
3-(2,4-Dihydroxyphényl)-8,8-diméthyl-2H,8H-pyrano[2,3-f]chromén-2-one [French] [ACD/IUPAC Name]
3-(2,4-Dihydroxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI
3-(2,4-dihydroxyphenyl)-8,8-dimethylpyrano[2,3-f]chromen-2-one
Kanzonol W

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: 1.4±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 221.2±25.0 °C
Index of Refraction: 1.660
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1395.93
ACD/KOC (pH 5.5): 6203.42
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1343.09
ACD/KOC (pH 7.4): 5968.58
Polar Surface Area: 76 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 245.7±3.0 cm3

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