ChemSpider 2D Image | 3-(3,4-Diacetoxyphenyl)-2-oxo-2H-chromene-7,8-diyl diacetate | C23H18O10

3-(3,4-Diacetoxyphenyl)-2-oxo-2H-chromene-7,8-diyl diacetate

  • Molecular FormulaC23H18O10
  • Average mass454.383 Da
  • Monoisotopic mass454.089996 Da
  • ChemSpider ID127423662

More details:

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

2H-1-Benzopyran-2-one, 7,8-bis(acetyloxy)-3-[3,4-bis(acetyloxy)phenyl]- [ACD/Index Name]
3-(3,4-Diacetoxyphenyl)-2-oxo-2H-chromen-7,8-diyl-diacetat [German] [ACD/IUPAC Name]
3-(3,4-Diacetoxyphenyl)-2-oxo-2H-chromene-7,8-diyl diacetate [ACD/IUPAC Name]
Diacétate de 3-(3,4-diacétoxyphényl)-2-oxo-2H-chromène-7,8-diyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4468869/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 278.2±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: 0.53
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.89
ACD/KOC (pH 5.5): 433.36
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.89
ACD/KOC (pH 7.4): 433.36
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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