ChemSpider 2D Image | Methyl 5-nitro-1-oxo-1H-isochromene-3-carboxylate | C11H7NO6

Methyl 5-nitro-1-oxo-1H-isochromene-3-carboxylate

  • Molecular FormulaC11H7NO6
  • Average mass249.176 Da
  • Monoisotopic mass249.027344 Da
  • ChemSpider ID21156218

More details:

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

1H-2-Benzopyran-3-carboxylic acid, 5-nitro-1-oxo-, methyl ester [ACD/Index Name]
5-Nitro-1-oxo-1H-isochromène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-nitro-1-oxo-1H-isochromene-3-carboxylate [ACD/IUPAC Name]
Methyl-5-nitro-1-oxo-1H-isochromen-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 431.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 210.6±30.7 °C
Index of Refraction: 1.613
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.47
ACD/KOC (pH 5.5): 247.24
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.47
ACD/KOC (pH 7.4): 247.24
Polar Surface Area: 98 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 164.5±3.0 cm3

Click to predict properties on the Chemicalize site


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