ChemSpider 2D Image | (2R)-2-Amino-4-(3-nitrophenyl)-4-oxobutanoic acid | C10H10N2O5

(2R)-2-Amino-4-(3-nitrophenyl)-4-oxobutanoic acid

  • Molecular FormulaC10H10N2O5
  • Average mass238.197 Da
  • Monoisotopic mass238.058975 Da
  • ChemSpider ID23130302

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-4-(3-nitrophenyl)-4-oxobutanoic acid [ACD/IUPAC Name]
(2R)-2-Amino-4-(3-nitrophenyl)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-amino-4-(3-nitrophényl)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-amino-3-nitro-γ-oxo-, (αR)- [ACD/Index Name]
(R)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 444.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 222.5±28.7 °C
Index of Refraction: 1.612
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 164.5±3.0 cm3

Click to predict properties on the Chemicalize site


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