Found 5 results

Search term: YCNGTSKOSZDDTR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Nitrobenzyl D-alaninate | C10H12N2O4

4-Nitrobenzyl D-alaninate

  • Molecular FormulaC10H12N2O4
  • Average mass224.213 Da
  • Monoisotopic mass224.079712 Da
  • ChemSpider ID110611658

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Nitrobenzyl D-alaninate [ACD/IUPAC Name]
4-Nitrobenzyl-D-alaninat [German] [ACD/IUPAC Name]
D-Alaninate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
D-Alanine, (4-nitrophenyl)methyl ester [ACD/Index 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: 351.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 166.5±22.3 °C
Index of Refraction: 1.565
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 36.61
Polar Surface Area: 98 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 174.6±3.0 cm3

Click to predict properties on the Chemicalize site


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