ChemSpider 2D Image | Ethyl 4-methoxy-3-nitro-γ-oxobenzenebutanoate | C13H15NO6

Ethyl 4-methoxy-3-nitro-γ-oxobenzenebutanoate

  • Molecular FormulaC13H15NO6
  • Average mass281.261 Da
  • Monoisotopic mass281.089935 Da
  • ChemSpider ID21402395

More details:






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

4-(4-Méthoxy-3-nitrophényl)-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
898758-89-9 [RN]
Benzenebutanoic acid, 4-methoxy-3-nitro-γ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-methoxy-3-nitrophenyl)-4-oxobutanoate [ACD/IUPAC Name]
Ethyl 4-methoxy-3-nitro-γ-oxobenzenebutanoate
Ethyl-4-(4-methoxy-3-nitrophenyl)-4-oxobutanoat [German] [ACD/IUPAC Name]
Ethyl 4-(4-methoxy-3-nitrophenyl)-4-oxobutyrate
ETHYL4-(4-METHOXY-3-NITROPHENYL)-4-OXOBUTYRATE
MFCD02261557 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 184.6±27.9 °C
Index of Refraction: 1.529
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.34
ACD/KOC (pH 5.5): 311.21
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.34
ACD/KOC (pH 7.4): 311.21
Polar Surface Area: 98 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 226.3±3.0 cm3

Click to predict properties on the Chemicalize site






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