ChemSpider 2D Image | Methyl 4-[3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-6-methyl-4-oxo-4H-furo[3,2-c]pyran-2-yl]benzoate | C22H16O8

Methyl 4-[3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-6-methyl-4-oxo-4H-furo[3,2-c]pyran-2-yl]benzoate

  • Molecular FormulaC22H16O8
  • Average mass408.358 Da
  • Monoisotopic mass408.084503 Da
  • ChemSpider ID58174253

More details:

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

4-[3-(4-Hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)-6-méthyl-4-oxo-4H-furo[3,2-c]pyran-2-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-6-methyl-4-oxo-4H-furo[3,2-c]pyran-2-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-6-methyl-4-oxo-4H-furo[3,2-c]pyran-2-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-6-methyl-4-oxo-4H-furo[3,2-c]pyran-2-yl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 10.40
ACD/KOC (pH 5.5): 80.70
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.55
Polar Surface Area: 112 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 287.3±3.0 cm3

Click to predict properties on the Chemicalize site


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