ChemSpider 2D Image | 3-(2,4-Dimethoxy-3-methylphenyl)-5-(4-ethylphenyl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C31H31N3O8

3-(2,4-Dimethoxy-3-methylphenyl)-5-(4-ethylphenyl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC31H31N3O8
  • Average mass573.593 Da
  • Monoisotopic mass573.211121 Da
  • ChemSpider ID2903935

More details:

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

3-(2,4-Dimethoxy-3-methylphenyl)-5-(4-ethylphenyl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
3-(2,4-Dimethoxy-3-methylphenyl)-5-(4-ethylphenyl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-(2,4-diméthoxy-3-méthylphényl)-5-(4-éthylphényl)-1-(4-nitrobenzyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-(2,4-dimethoxy-3-methylphenyl)-5-(4-ethylphenyl)octahydro-1-[(4-nitrophenyl)methyl]-4,6-dioxo- [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: 819.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.6±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 9.50
ACD/KOC (pH 5.5): 34.49
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 16.05
Polar Surface Area: 151 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 429.3±3.0 cm3

Click to predict properties on the Chemicalize site


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