ChemSpider 2D Image | 5,7-Dihydroxy-3-(4-hydroxybenzylidene)-8-methoxy-2,3-dihydro-4H-chromen-4-one | C17H14O6

5,7-Dihydroxy-3-(4-hydroxybenzylidene)-8-methoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC17H14O6
  • Average mass314.289 Da
  • Monoisotopic mass314.079041 Da
  • ChemSpider ID57641835

More details:

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

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylene]-8-methoxy- [ACD/Index Name]
5,7-Dihydroxy-3-(4-hydroxybenzyliden)-8-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-3-(4-hydroxybenzylidene)-8-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-3-(4-hydroxybenzylidène)-8-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
27181-63-1 [RN]
5,7-dihydroxy-8-methoxy-3-(4'-hydroxybenzylidene)-4-chromanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 223.5±23.6 °C
Index of Refraction: 1.718
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.32
ACD/KOC (pH 5.5): 1098.87
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 29.14
ACD/KOC (pH 7.4): 253.48
Polar Surface Area: 96 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 210.9±3.0 cm3

Click to predict properties on the Chemicalize site


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