ChemSpider 2D Image | Methyl 3-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate | C20H16O7

Methyl 3-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate

  • Molecular FormulaC20H16O7
  • Average mass368.337 Da
  • Monoisotopic mass368.089600 Da
  • ChemSpider ID32511652

More details:






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

2H-1-Benzopyran-3-propanoic acid, β-1,3-benzodioxol-5-yl-4-hydroxy-2-oxo-, methyl ester [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromén-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoat [German] [ACD/IUPAC Name]
1630869-15-6 [RN]
C20H16O7
methyl 3-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxochromen-3-yl)propanoate
methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 210.3±23.6 °C
Index of Refraction: 1.650
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 15.55
ACD/KOC (pH 5.5): 125.61
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 91 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 253.3±3.0 cm3

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