ChemSpider 2D Image | Methyl {[(2E)-3-oxo-2-(2,3,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate | C21H20O8

Methyl {[(2E)-3-oxo-2-(2,3,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

  • Molecular FormulaC21H20O8
  • Average mass400.379 Da
  • Monoisotopic mass400.115814 Da
  • ChemSpider ID34496547
  • Double-bond stereo - Double-bond stereo


More details:






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

{[(2E)-3-Oxo-2-(2,3,5-triméthoxybenzylidène)-2,3-dihydro-1-benzofuran-6-yl]oxy}acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[(2E)-2,3-dihydro-3-oxo-2-[(2,3,5-trimethoxyphenyl)methylene]-6-benzofuranyl]oxy]-, methyl ester [ACD/Index Name]
Methyl {[(2E)-3-oxo-2-(2,3,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate [ACD/IUPAC Name]
Methyl-{[(2E)-3-oxo-2-(2,3,5-trimethoxybenzyliden)-2,3-dihydro-1-benzofuran-6-yl]oxy}acetat [German] [ACD/IUPAC Name]
(E)-methyl 2-((3-oxo-2-(2,3,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetate
1676104-69-0 [RN]
C21H20O8
methyl 2-[[(2E)-3-oxo-2-[(2,3,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 580.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 253.8±30.2 °C
Index of Refraction: 1.594
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.94
ACD/KOC (pH 5.5): 572.00
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.94
ACD/KOC (pH 7.4): 572.00
Polar Surface Area: 90 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 306.4±3.0 cm3

Click to predict properties on the Chemicalize site






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