ChemSpider 2D Image | Methyl 5-({[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoate | C22H22O8

Methyl 5-({[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoate

  • Molecular FormulaC22H22O8
  • Average mass414.405 Da
  • Monoisotopic mass414.131470 Da
  • ChemSpider ID25364059

More details:

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

2H-1-Benzopyran-3-propanoic acid, 7-[[5-(methoxycarbonyl)-2-furanyl]methoxy]-4-methyl-2-oxo-, ethyl ester [ACD/Index Name]
5-({[3-(3-Éthoxy-3-oxopropyl)-4-méthyl-2-oxo-2H-chromén-7-yl]oxy}méthyl)-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoate [ACD/IUPAC Name]
Methyl-5-({[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)-2-furoat [German] [ACD/IUPAC Name]
1206148-56-2 [RN]
5-[3-(2-Ethoxycarbonyl-ethyl)-4-methyl-2-oxo-2H-chromen-7-yloxymethyl]-furan-2-carboxylic acid methyl ester
methyl 5-(((3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)methyl)furan-2-carboxylate
methyl 5-({[3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-2H-chromen-7-yl]oxy}methyl)furan-2-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.3±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 922.28
ACD/KOC (pH 5.5): 4611.56
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 922.28
ACD/KOC (pH 7.4): 4611.56
Polar Surface Area: 101 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 329.0±3.0 cm3

Click to predict properties on the Chemicalize site


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