ChemSpider 2D Image | 5-Oxo(N~1~,O,3,3,4,4-~2~H_6_)proline | C5HD6NO3

5-Oxo(N1,O,3,3,4,4-2H6)proline

  • Molecular FormulaC5HD6NO3
  • Average mass135.151 Da
  • Monoisotopic mass135.080261 Da
  • ChemSpider ID78057749

  • Non-standard isotope - Non-standard isotope

More details:

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

5-Oxo(N1,O,3,3,4,4-2H6)prolin [German] [ACD/IUPAC Name]
5-Oxo(N1,O,3,3,4,4-2H6)proline [ACD/IUPAC Name]
5-Oxo(N1,O,3,3,4,4-2H6)proline [French] [ACD/IUPAC Name]
Proline-N1,3,3,4,4-d6, 5-oxo- [ACD/Index 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: 453.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.1±6.0 kJ/mol
Flash Point: 227.8±26.8 °C
Index of Refraction: 1.512
Molar Refractivity: 28.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 93.5±3.0 cm3

Click to predict properties on the Chemicalize site


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