ChemSpider 2D Image | 3-[(4,5-Dimethoxy-2-nitrobenzoyl)amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid | C22H26N2O9

3-[(4,5-Dimethoxy-2-nitrobenzoyl)amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid

  • Molecular FormulaC22H26N2O9
  • Average mass462.450 Da
  • Monoisotopic mass462.163818 Da
  • ChemSpider ID67471727

More details:

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

3-[(4,5-Dimethoxy-2-nitrobenzoyl)amino]-3-(3-methoxy-4-propoxyphenyl)propanoic acid [ACD/IUPAC Name]
3-[(4,5-Dimethoxy-2-nitrobenzoyl)amino]-3-(3-methoxy-4-propoxyphenyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-[(4,5-diméthoxy-2-nitrobenzoyl)amino]-3-(3-méthoxy-4-propoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-methoxy-4-propoxy- [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: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 27.48
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 359.7±3.0 cm3

Click to predict properties on the Chemicalize site


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