ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2,5-dihydroxybenzoate | C22H14O10

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2,5-dihydroxybenzoate

  • Molecular FormulaC22H14O10
  • Average mass438.341 Da
  • Monoisotopic mass438.058685 Da
  • ChemSpider ID28490155

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2,5-dihydroxybenzoate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-2,5-dihydroxybenzoat [German] [ACD/IUPAC Name]
2,5-Dihydroxybenzoate de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2,5-dihydroxy-, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl ester [ACD/Index 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: 812.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 289.8±27.8 °C
Index of Refraction: 1.844
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 84.07
ACD/KOC (pH 5.5): 737.33
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 11.85
Polar Surface Area: 174 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 133.3±5.0 dyne/cm
Molar Volume: 236.2±5.0 cm3

Click to predict properties on the Chemicalize site


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