ChemSpider 2D Image | Ethyl 4-{[(3-hydroxy-5-nitrobenzoyl)oxy]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate | C18H18N2O8

Ethyl 4-{[(3-hydroxy-5-nitrobenzoyl)oxy]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC18H18N2O8
  • Average mass390.344 Da
  • Monoisotopic mass390.106323 Da
  • ChemSpider ID30381072

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[2-[(3-hydroxy-5-nitrobenzoyl)oxy]acetyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-{2-[(3-Hydroxy-5-nitrobenzoyl)oxy]acétyl}-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[(3-hydroxy-5-nitrobenzoyl)oxy]acetyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-{[(3-hydroxy-5-nitrobenzoyl)oxy]acetyl}-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 662.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 354.1±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 330.01
ACD/KOC (pH 5.5): 2202.14
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 168.33
ACD/KOC (pH 7.4): 1123.23
Polar Surface Area: 152 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 278.8±3.0 cm3

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