ChemSpider 2D Image | Methyl 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydro-4H-furo[3,2-c]chromene-2-carboxylate | C22H18O9

Methyl 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydro-4H-furo[3,2-c]chromene-2-carboxylate

  • Molecular FormulaC22H18O9
  • Average mass426.373 Da
  • Monoisotopic mass426.095093 Da
  • ChemSpider ID28635564

More details:






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

3-(6,7-Diméthoxy-1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydro-4H-furo[3,2-c]chromène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H-Furo[3,2-c][1]benzopyran-2-carboxylic acid, 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-2,3-dihydro-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydro-4H-furo[3,2-c]chromene-2-carboxylate [ACD/IUPAC Name]
Methyl-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydro-4H-furo[3,2-c]chromen-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 564.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 246.5±30.2 °C
Index of Refraction: 1.645
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.72
ACD/KOC (pH 5.5): 890.65
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.72
ACD/KOC (pH 7.4): 890.65
Polar Surface Area: 99 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 285.3±5.0 cm3

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