ChemSpider 2D Image | Ethyl 2,4-dimethyl-5-(2-{[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}propanoyl)-1H-pyrrole-3-carboxylate | C20H20N2O9

Ethyl 2,4-dimethyl-5-(2-{[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}propanoyl)-1H-pyrrole-3-carboxylate

  • Molecular FormulaC20H20N2O9
  • Average mass432.381 Da
  • Monoisotopic mass432.116882 Da
  • ChemSpider ID21640706

More details:






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

1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-5-[2-[[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
2,4-Diméthyl-5-(2-{[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}propanoyl)-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2,4-dimethyl-5-(2-{[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}propanoyl)-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-2,4-dimethyl-5-(2-{[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}propanoyl)-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 663.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.9±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 420.68
ACD/KOC (pH 5.5): 2629.25
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 420.68
ACD/KOC (pH 7.4): 2629.25
Polar Surface Area: 150 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 308.4±3.0 cm3

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