ChemSpider 2D Image | Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoate | C22H22O8

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

  • Molecular FormulaC22H22O8
  • Average mass414.405 Da
  • Monoisotopic mass414.131470 Da
  • ChemSpider ID32512383

More details:






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

2H-1-Benzopyran-3-propanoic acid, 4-hydroxy-2-oxo-β-(2,3,4-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
3-(4-Hydroxy-2-oxo-2H-chromén-3-yl)-3-(2,3,4-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1630841-31-4 [RN]
C22H22O8
methyl 3-(4-hydroxy-2-oxochromen-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 209.8±25.0 °C
Index of Refraction: 1.591
Molar Refractivity: 106.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 6.30
ACD/KOC (pH 5.5): 65.81
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 101 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 314.1±3.0 cm3

Click to predict properties on the Chemicalize site






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