ChemSpider 2D Image | Methyl 5-({[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoate | C21H20O8

Methyl 5-({[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoate

  • Molecular FormulaC21H20O8
  • Average mass400.379 Da
  • Monoisotopic mass400.115814 Da
  • ChemSpider ID24601404

More details:






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

2H-1-Benzopyran-3-acetic acid, 7-[[5-(methoxycarbonyl)-2-furanyl]methoxy]-4,8-dimethyl-2-oxo-, methyl ester [ACD/Index Name]
5-({[3-(2-Méthoxy-2-oxoéthyl)-4,8-diméthyl-2-oxo-2H-chromén-7-yl]oxy}méthyl)-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoate [ACD/IUPAC Name]
Methyl-5-({[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoat [German] [ACD/IUPAC Name]
1190294-55-3 [RN]
C21H20O8
methyl 5-({[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl]oxy}methyl)furan-2-carboxylate
methyl 5-[[3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxochromen-7-yl]oxymethyl]furan-2-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.9±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 466.31
ACD/KOC (pH 5.5): 2830.34
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 466.31
ACD/KOC (pH 7.4): 2830.34
Polar Surface Area: 101 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site






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