ChemSpider 2D Image | Ethyl 5-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}-4-[(dimethylamino)methyl]-2-phenyl-1-benzofuran-3-carboxylate | C30H27NO7

Ethyl 5-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}-4-[(dimethylamino)methyl]-2-phenyl-1-benzofuran-3-carboxylate

  • Molecular FormulaC30H27NO7
  • Average mass513.538 Da
  • Monoisotopic mass513.178772 Da
  • ChemSpider ID1817991

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Benzofurancarboxylic acid, 5-[[(2E)-3-(1,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]oxy]-4-[(dimethylamino)methyl]-2-phenyl-, ethyl ester [ACD/Index Name]
5-{[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]oxy}-4-[(diméthylamino)méthyl]-2-phényl-1-benzofurane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}-4-[(dimethylamino)methyl]-2-phenyl-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]oxy}-4-[(dimethylamino)methyl]-2-phenyl-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 60.74
ACD/KOC (pH 5.5): 180.71
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 2527.13
ACD/KOC (pH 7.4): 7517.81
Polar Surface Area: 87 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 400.3±3.0 cm3

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