ChemSpider 2D Image | Methyl 2-nitro-3-oxobutanoate | C5H7NO5

Methyl 2-nitro-3-oxobutanoate

  • Molecular FormulaC5H7NO5
  • Average mass161.113 Da
  • Monoisotopic mass161.032425 Da
  • ChemSpider ID31001396

More details:

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

2-Nitro-3-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-nitro-3-oxo-, methyl ester [ACD/Index Name]
Methyl 2-nitro-3-oxobutanoate [ACD/IUPAC Name]
Methyl-2-nitro-3-oxobutanoat [German] [ACD/IUPAC Name]
29291-62-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 214.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 97.9±25.2 °C
Index of Refraction: 1.442
Molar Refractivity: 33.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.15
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 124.8±3.0 cm3

Click to predict properties on the Chemicalize site


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