ChemSpider 2D Image | Methyl {[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate | C21H20O8

Methyl {[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate

  • Molecular FormulaC21H20O8
  • Average mass400.379 Da
  • Monoisotopic mass400.115814 Da
  • ChemSpider ID32083472

More details:






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

{[3-(3,4,5-Triméthoxybenzoyl)-1-benzofuran-5-yl]oxy}acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[3-(3,4,5-trimethoxybenzoyl)-5-benzofuranyl]oxy]-, methyl ester [ACD/Index Name]
Methyl {[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetate [ACD/IUPAC Name]
Methyl-{[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy}acetat [German] [ACD/IUPAC Name]
[3-(3,4,5-Trimethoxy-benzoyl)-benzofuran-5-yloxy]-acetic acid methyl ester
C21H20O8
https://mcule.com/MCULE-7269340731
methyl ({3-[(3,4,5-trimethoxyphenyl)carbonyl]-1-benzofuran-5-yl}oxy)acetate
methyl 2-((3-(3,4,5-trimethoxybenzoyl)benzofuran-5-yl)oxy)acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.6±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.52
ACD/KOC (pH 5.5): 868.53
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.52
ACD/KOC (pH 7.4): 868.53
Polar Surface Area: 93 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 317.0±3.0 cm3

Click to predict properties on the Chemicalize site






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