ChemSpider 2D Image | {[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}methyl pivalate | C21H20O9

{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}methyl pivalate

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID26629617

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]oxy}methyl pivalate [ACD/IUPAC Name]
{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}methylpivalat [German] [ACD/IUPAC Name]
Pivalate de {[2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yl]oxy}méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, [[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy]methyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 240.6±25.0 °C
Index of Refraction: 1.677
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 65.43
ACD/KOC (pH 5.5): 632.91
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 16.07
Polar Surface Area: 143 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 271.1±5.0 cm3

Click to predict properties on the Chemicalize site


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