ChemSpider 2D Image | 4-[(4-Methoxybenzyl)oxy]-3-methyl-4-oxo-2-butenoate | C13H13O5

4-[(4-Methoxybenzyl)oxy]-3-methyl-4-oxo-2-butenoate

  • Molecular FormulaC13H13O5
  • Average mass249.240 Da
  • Monoisotopic mass249.076843 Da
  • ChemSpider ID57532838

  • Charge - Charge

More details:

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

2-Butenedioic acid, 2-methyl-, 1-[(4-methoxyphenyl)methyl] ester, ion(1-) [ACD/Index Name]
4-[(4-Methoxybenzyl)oxy]-3-methyl-4-oxo-2-butenoat [German] [ACD/IUPAC Name]
4-[(4-Methoxybenzyl)oxy]-3-methyl-4-oxo-2-butenoate [ACD/IUPAC Name]
4-[(4-Méthoxybenzyl)oxy]-3-méthyl-4-oxo-2-buténoate [French] [ACD/IUPAC Name]
189571-79-7 [RN]
4-[(4-Methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoate

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

Density:
Boiling Point: 416.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 157.7±18.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.76
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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