ChemSpider 2D Image | Methyl {[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-chromen-5-yl]oxy}acetate | C18H14O9

Methyl {[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-chromen-5-yl]oxy}acetate

  • Molecular FormulaC18H14O9
  • Average mass374.298 Da
  • Monoisotopic mass374.063782 Da
  • ChemSpider ID24695169

More details:

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

{[2-(3,4-Dihydroxyphényl)-3,7-dihydroxy-4-oxo-4H-chromén-5-yl]oxy}acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-1-benzopyran-5-yl]oxy]-, methyl ester [ACD/Index Name]
Methyl {[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-chromen-5-yl]oxy}acetate [ACD/IUPAC Name]
Methyl-{[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-chromen-5-yl]oxy}acetat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470854/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 689.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 253.7±25.0 °C
Index of Refraction: 1.703
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 9.85
ACD/KOC (pH 5.5): 170.97
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.52
Polar Surface Area: 143 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 85.2±3.0 dyne/cm
Molar Volume: 230.0±3.0 cm3

Click to predict properties on the Chemicalize site


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