ChemSpider 2D Image | Methyl 5-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-2-furoate | C20H20O6

Methyl 5-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-2-furoate

  • Molecular FormulaC20H20O6
  • Average mass356.369 Da
  • Monoisotopic mass356.125977 Da
  • ChemSpider ID21804845

More details:






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

2-Furancarboxylic acid, 5-[[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-, methyl ester [ACD/Index Name]
5-{[(4-Butyl-2-oxo-2H-chromén-7-yl)oxy]méthyl}-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-2-furoate [ACD/IUPAC Name]
Methyl-5-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-2-furoat [German] [ACD/IUPAC Name]
5-(4-Butyl-2-oxo-2H-chromen-7-yloxymethyl)-furan-2-carboxylic acid methyl ester
c20h20o6
methyl 5-(((4-butyl-2-oxo-2H-chromen-7-yl)oxy)methyl)furan-2-carboxylate
methyl 5-{[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]methyl}furan-2-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.8±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 824.80
ACD/KOC (pH 5.5): 4257.21
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 824.80
ACD/KOC (pH 7.4): 4257.21
Polar Surface Area: 75 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 291.1±3.0 cm3

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