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

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

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID26631838

More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 675.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 238.8±25.0 °C
Index of Refraction: 1.658
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 74.33
ACD/KOC (pH 5.5): 700.48
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 3.44
ACD/KOC (pH 7.4): 32.38
Polar Surface Area: 143 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 279.6±3.0 cm3

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