ChemSpider 2D Image | 3-[(4-Ethoxy-3-nitrobenzoyl)amino]-2-(tetrahydro-2H-pyran-4-yl)propanoic acid | C17H22N2O7

3-[(4-Ethoxy-3-nitrobenzoyl)amino]-2-(tetrahydro-2H-pyran-4-yl)propanoic acid

  • Molecular FormulaC17H22N2O7
  • Average mass366.366 Da
  • Monoisotopic mass366.142700 Da
  • ChemSpider ID58043356

More details:

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

2H-Pyran-4-acetic acid, α-[[(4-ethoxy-3-nitrobenzoyl)amino]methyl]tetrahydro- [ACD/Index Name]
3-[(4-Ethoxy-3-nitrobenzoyl)amino]-2-(tetrahydro-2H-pyran-4-yl)propanoic acid [ACD/IUPAC Name]
3-[(4-Ethoxy-3-nitrobenzoyl)amino]-2-(tetrahydro-2H-pyran-4-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-[(4-éthoxy-3-nitrobenzoyl)amino]-2-(tétrahydro-2H-pyran-4-yl)propanoïque [French] [ACD/IUPAC 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: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.60
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


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