ChemSpider 2D Image | 2-(4-Acetoxy-3-methoxyphenyl)-3,8-dimethoxy-4-oxo-4H-chromene-5,6,7-triyl triacetate | C26H24O13

2-(4-Acetoxy-3-methoxyphenyl)-3,8-dimethoxy-4-oxo-4H-chromene-5,6,7-triyl triacetate

  • Molecular FormulaC26H24O13
  • Average mass544.461 Da
  • Monoisotopic mass544.121704 Da
  • ChemSpider ID8705971

More details:

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

2-(4-Acetoxy-3-methoxyphenyl)-3,8-dimethoxy-4-oxo-4H-chromen-5,6,7-triyl-triacetat [German] [ACD/IUPAC Name]
2-(4-Acetoxy-3-methoxyphenyl)-3,8-dimethoxy-4-oxo-4H-chromene-5,6,7-triyl triacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5,6,7-tris(acetyloxy)-2-[4-(acetyloxy)-3-methoxyphenyl]-3,8-dimethoxy- [ACD/Index Name]
Triacétate de 2-(4-acétoxy-3-méthoxyphényl)-3,8-diméthoxy-4-oxo-4H-chromène-5,6,7-triyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 691.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 292.8±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.86
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.53
ACD/KOC (pH 5.5): 270.36
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.53
ACD/KOC (pH 7.4): 270.36
Polar Surface Area: 159 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 381.5±5.0 cm3

Click to predict properties on the Chemicalize site


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