ChemSpider 2D Image | Methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate | C25H24O8

Methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate

  • Molecular FormulaC25H24O8
  • Average mass452.453 Da
  • Monoisotopic mass452.147125 Da
  • ChemSpider ID21804717

More details:

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

{7-[2-(3,4-Dihydro-2H-1,5-benzodioxépin-7-yl)-2-oxoéthoxy]-4,8-diméthyl-2-oxo-2H-chromén-3-yl}acétate de méthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-acetic acid, 7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-, methyl ester [ACD/Index Name]
Methyl {7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetate [ACD/IUPAC Name]
Methyl-{7-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}acetat [German] [ACD/IUPAC Name]
{7-[2-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-oxo-ethoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}-acetic acid methyl ester
methyl 2-(7-(2-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 280.6±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 727.73
ACD/KOC (pH 5.5): 3892.26
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 727.73
ACD/KOC (pH 7.4): 3892.26
Polar Surface Area: 97 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 353.5±3.0 cm3

Click to predict properties on the Chemicalize site


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