ChemSpider 2D Image | Methyl (3S)-2,4-dioxo-3-piperidinecarboxylate | C7H9NO4

Methyl (3S)-2,4-dioxo-3-piperidinecarboxylate

  • Molecular FormulaC7H9NO4
  • Average mass171.151 Da
  • Monoisotopic mass171.053162 Da
  • ChemSpider ID113057365

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-2,4-Dioxo-3-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 2,4-dioxo-, methyl ester, (3S)- [ACD/Index Name]
Methyl (3S)-2,4-dioxo-3-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-(3S)-2,4-dioxo-3-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 391.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.6±27.9 °C
Index of Refraction: 1.477
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.99
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.30
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.21
Polar Surface Area: 72 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 133.1±3.0 cm3

Click to predict properties on the Chemicalize site


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