ChemSpider 2D Image | 4-{5-[1-(3-Hydroxy-4-oxo-4H-chromen-2-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid | C24H18O8

4-{5-[1-(3-Hydroxy-4-oxo-4H-chromen-2-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid

  • Molecular FormulaC24H18O8
  • Average mass434.395 Da
  • Monoisotopic mass434.100159 Da
  • ChemSpider ID35147343

More details:

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

4-{5-[1-(3-Hydroxy-4-oxo-4H-chromen-2-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoesäure [German] [ACD/IUPAC Name]
4-{5-[1-(3-Hydroxy-4-oxo-4H-chromen-2-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid [ACD/IUPAC Name]
4H-1-Benzopyran-2-propanoic acid, β-[5-(4-carboxyphenyl)-2-furanyl]-3-hydroxy-4-oxo-, α-methyl ester [ACD/Index Name]
Acide 4-{5-[1-(3-hydroxy-4-oxo-4H-chromén-2-yl)-3-méthoxy-3-oxopropyl]-2-furyl}benzoïque [French] [ACD/IUPAC Name]
4-(5-(1-(3-hydroxy-4-oxo-4H-chromen-2-yl)-3-methoxy-3-oxopropyl)furan-2-yl)benzoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 18.62
ACD/KOC (pH 5.5): 119.85
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 123 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 302.7±3.0 cm3

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