ChemSpider 2D Image | 6-(3,4-Dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate | C29H28O9

6-(3,4-Dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC29H28O9
  • Average mass520.527 Da
  • Monoisotopic mass520.173340 Da
  • ChemSpider ID4347447

More details:

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

3,4,5-Triméthoxybenzoate de 6-(3,4-diméthoxyphényl)-1,3-diméthyl-4-oxo-4H-cyclohepta[c]furan-8-yle [French] [ACD/IUPAC Name]
6-(3,4-Dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
6-(3,4-Dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 980.10
ACD/KOC (pH 5.5): 4816.71
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 980.10
ACD/KOC (pH 7.4): 4816.71
Polar Surface Area: 103 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 396.9±5.0 cm3

Click to predict properties on the Chemicalize site


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