ChemSpider 2D Image | Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate | C21H20O8

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

  • Molecular FormulaC21H20O8
  • Average mass400.379 Da
  • Monoisotopic mass400.115814 Da
  • ChemSpider ID32510185

More details:






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

2H-1-Benzopyran-3-propanoic acid, 4-hydroxy-β-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-, methyl ester [ACD/Index Name]
3-(4-Hydroxy-3,5-diméthoxyphényl)-3-(4-hydroxy-2-oxo-2H-chromén-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoat [German] [ACD/IUPAC Name]
1630835-84-5 [RN]
C21H20O8
methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate
methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)propanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 616.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 217.6±25.0 °C
Index of Refraction: 1.621
Molar Refractivity: 101.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 50.28
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 288.6±3.0 cm3

Click to predict properties on the Chemicalize site






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