ChemSpider 2D Image | 1-{[(4-Nitrobenzyl)oxy]carbonyl}proline | C13H14N2O6

1-{[(4-Nitrobenzyl)oxy]carbonyl}proline

  • Molecular FormulaC13H14N2O6
  • Average mass294.260 Da
  • Monoisotopic mass294.085175 Da
  • ChemSpider ID13315008

More details:

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

1,2-Pyrrolidinedicarboxylic acid, 1-[(4-nitrophenyl)methyl] ester [ACD/Index Name]
1-[(4-Nitrobenzyloxy)carbonyl]-pyrrolidine-2-carboxylic acid
1-{[(4-Nitrobenzyl)oxy]carbonyl}prolin [German] [ACD/IUPAC Name]
1-{[(4-Nitrobenzyl)oxy]carbonyl}proline [ACD/IUPAC Name]
1-{[(4-Nitrobenzyl)oxy]carbonyl}proline [French] [ACD/IUPAC Name]
347386-12-3 [RN]
1-(((4-Nitrobenzyl)oxy)carbonyl)pyrrolidine-2-carboxylic acid
1-[(4-Nitrobenzyloxy)carbonyl]pyrrolidine-2-carboxylic acid
1-[(4-Nitrobenzyloxy)carbonyl]pyrrolidine-2-carboxylicacid
1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 523.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.2±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.22
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 202.2±3.0 cm3

Click to predict properties on the Chemicalize site


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