ChemSpider 2D Image | 3-(3,5-Dimethoxy-4-{[5-(methoxycarbonyl)-2-furyl]methoxy}phenyl)-2-oxopropanoic acid | C18H18O9

3-(3,5-Dimethoxy-4-{[5-(methoxycarbonyl)-2-furyl]methoxy}phenyl)-2-oxopropanoic acid

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID102111303

More details:

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

2-Furancarboxylic acid, 5-[[4-(2-carboxy-2-oxoethyl)-2,6-dimethoxyphenoxy]methyl]-, 2-methyl ester [ACD/Index Name]
3-(3,5-Dimethoxy-4-{[5-(methoxycarbonyl)-2-furyl]methoxy}phenyl)-2-oxopropanoic acid [ACD/IUPAC Name]
3-(3,5-Dimethoxy-4-{[5-(methoxycarbonyl)-2-furyl]methoxy}phenyl)-2-oxopropansäure [German] [ACD/IUPAC Name]
Acide 3-(3,5-diméthoxy-4-{[5-(méthoxycarbonyl)-2-furyl]méthoxy}phényl)-2-oxopropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.2±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 283.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement