ChemSpider 2D Image | Ethyl 8-(4-methoxy-3-nitrophenyl)-8-oxooctanoate | C17H23NO6

Ethyl 8-(4-methoxy-3-nitrophenyl)-8-oxooctanoate

  • Molecular FormulaC17H23NO6
  • Average mass337.368 Da
  • Monoisotopic mass337.152527 Da
  • ChemSpider ID21402399

More details:

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

8-(4-Méthoxy-3-nitrophényl)-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, 4-methoxy-3-nitro-η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-(4-methoxy-3-nitrophenyl)-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-(4-methoxy-3-nitrophenyl)-8-oxooctanoat [German] [ACD/IUPAC Name]
898758-97-9 [RN]
ETHYL8-(4-METHOXY-3-NITROPHENYL)-8-OXOOCTANOATE
MFCD02261561 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 176.1±27.9 °C
Index of Refraction: 1.516
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 220.78
ACD/KOC (pH 5.5): 1657.36
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 220.78
ACD/KOC (pH 7.4): 1657.36
Polar Surface Area: 98 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

Click to predict properties on the Chemicalize site


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