ChemSpider 2D Image | Methyl 4-oxo-4-(3-oxo-1-pyrrolidinyl)butanoate | C9H13NO4

Methyl 4-oxo-4-(3-oxo-1-pyrrolidinyl)butanoate

  • Molecular FormulaC9H13NO4
  • Average mass199.204 Da
  • Monoisotopic mass199.084457 Da
  • ChemSpider ID30774005

More details:






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

1-Pyrrolidinebutanoic acid, γ,3-dioxo-, methyl ester [ACD/Index Name]
4-Oxo-4-(3-oxo-1-pyrrolidinyl)butanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-oxo-4-(3-oxo-1-pyrrolidinyl)butanoate [ACD/IUPAC Name]
Methyl-4-oxo-4-(3-oxo-1-pyrrolidinyl)butanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 344.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 161.9±25.1 °C
Index of Refraction: 1.498
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.44
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.44
Polar Surface Area: 64 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 160.5±3.0 cm3

Click to predict properties on the Chemicalize site






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