ChemSpider 2D Image | Methyl (2E)-2-(2-{[(3-butyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}phenyl)-3-methoxyacrylate | C26H28O6

Methyl (2E)-2-(2-{[(3-butyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}phenyl)-3-methoxyacrylate

  • Molecular FormulaC26H28O6
  • Average mass436.497 Da
  • Monoisotopic mass436.188599 Da
  • ChemSpider ID95776751

More details:

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

(2E)-2-(2-{[(3-Butyl-4-méthyl-2-oxo-2H-chromén-7-yl)oxy]méthyl}phényl)-3-méthoxyacrylate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[[(3-butyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-α-(methoxymethylene)-, methyl ester, (αE)- [ACD/Index Name]
Methyl (2E)-2-(2-{[(3-butyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}phenyl)-3-methoxyacrylate [ACD/IUPAC Name]
Methyl-(2E)-2-(2-{[(3-butyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}phenyl)-3-methoxyacrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 605.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 259.4±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10865.29
ACD/KOC (pH 5.5): 26951.77
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10865.29
ACD/KOC (pH 7.4): 26951.77
Polar Surface Area: 71 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 375.6±3.0 cm3

Click to predict properties on the Chemicalize site


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