ChemSpider 2D Image | 3-(3,4-Dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl 3,4,5-trimethoxybenzoate | C28H26O9

3-(3,4-Dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID12255192

More details:

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

3-(3,4-Dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
3-(3,4-Dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de 3-(3,4-diméthoxyphényl)-4-méthyl-2-oxo-2H-chromén-6-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl ester [ACD/Index Name]
3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-6-yl 3,4,5-trimethoxybenzoate
3,4,5-Trimethoxy-benzoic acid 3-(3,4-dimethoxy-phenyl)-4-methyl-2-oxo-2H-chromen-6-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 274.3±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1754.37
ACD/KOC (pH 5.5): 7307.01
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1754.37
ACD/KOC (pH 7.4): 7307.01
Polar Surface Area: 99 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 400.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement