ChemSpider 2D Image | Methyl 1-(2-isopropoxy-2-oxoethyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarboxylate | C12H14N2O7

Methyl 1-(2-isopropoxy-2-oxoethyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC12H14N2O7
  • Average mass298.249 Da
  • Monoisotopic mass298.080109 Da
  • ChemSpider ID30029503

More details:

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

1(2H)-Pyridineacetic acid, 3-(methoxycarbonyl)-5-nitro-2-oxo-, 1-methylethyl ester [ACD/Index Name]
1-(2-Isopropoxy-2-oxoéthyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 1-(2-isopropoxy-2-oxoethyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-1-(2-isopropoxy-2-oxoethyl)-5-nitro-2-oxo-1,2-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 420.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 208.0±28.7 °C
Index of Refraction: 1.545
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.65
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.65
Polar Surface Area: 119 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

Click to predict properties on the Chemicalize site


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