ChemSpider 2D Image | N-(4-Methoxy-3-nitrobenzoyl)aspartic acid | C12H12N2O8

N-(4-Methoxy-3-nitrobenzoyl)aspartic acid

  • Molecular FormulaC12H12N2O8
  • Average mass312.232 Da
  • Monoisotopic mass312.059357 Da
  • ChemSpider ID28898026

More details:

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

Acide N-(4-méthoxy-3-nitrobenzoyl)aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-(4-methoxy-3-nitrobenzoyl)- [ACD/Index Name]
N-(4-Methoxy-3-nitrobenzoyl)asparaginsäure [German] [ACD/IUPAC Name]
N-(4-Methoxy-3-nitrobenzoyl)aspartic acid [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 552.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.0±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 204.8±3.0 cm3

Click to predict properties on the Chemicalize site


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