ChemSpider 2D Image | Methyl 5-[1-(2-furyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C15H15NO7

Methyl 5-[1-(2-furyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC15H15NO7
  • Average mass321.282 Da
  • Monoisotopic mass321.084839 Da
  • ChemSpider ID35147237

More details:

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

3-Pyridinepropanoic acid, β-2-furanyl-1,2-dihydro-4-hydroxy-5-(methoxycarbonyl)-2-oxo-, methyl ester [ACD/Index Name]
5-[1-(2-Furyl)-3-méthoxy-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[1-(2-furyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-5-[1-(2-furyl)-3-methoxy-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
methyl 5-(1-(furan-2-yl)-3-methoxy-3-oxopropyl)-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 241.3±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.06
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 229.0±3.0 cm3

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