ChemSpider 2D Image | 3-(3,4-Diacetoxyphenyl)-2-oxo-2H-chromene-6,7-diyl diacetate | C23H18O10

3-(3,4-Diacetoxyphenyl)-2-oxo-2H-chromene-6,7-diyl diacetate

  • Molecular FormulaC23H18O10
  • Average mass454.383 Da
  • Monoisotopic mass454.089996 Da
  • ChemSpider ID23161275

More details:

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

2H-1-Benzopyran-2-one, 6,7-bis(acetyloxy)-3-[3,4-bis(acetyloxy)phenyl]- [ACD/Index Name]
3-(3,4-Diacetoxyphenyl)-2-oxo-2H-chromen-6,7-diyl-diacetat [German] [ACD/IUPAC Name]
3-(3,4-Diacetoxyphenyl)-2-oxo-2H-chromene-6,7-diyl diacetate [ACD/IUPAC Name]
3-[3,4-bis(acetyloxy)phenyl]-2-oxo-2H-chromene-6,7-diyl diacetate
Diacétate de 3-(3,4-diacétoxyphényl)-2-oxo-2H-chromène-6,7-diyle [French] [ACD/IUPAC Name]
6,7-diacetoxy-3-[30,40-diacetoxyphenyl]-coumarin
Acetic acid 7-acetoxy-3-(3,4-diacetoxy-phenyl)-2-oxo-2H-chromen-6-yl ester
CHEMBL67599

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 277.8±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.22
ACD/KOC (pH 5.5): 532.71
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.22
ACD/KOC (pH 7.4): 532.71
Polar Surface Area: 132 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 329.8±3.0 cm3

Click to predict properties on the Chemicalize site


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