ChemSpider 2D Image | 1-[(4-Methoxyphenyl)methyl] 2-(4-hydroxyphenyl)propanedioate | C17H16O6

1-[(4-Methoxyphenyl)methyl] 2-(4-hydroxyphenyl)propanedioate

  • Molecular FormulaC17H16O6
  • Average mass316.305 Da
  • Monoisotopic mass316.094696 Da
  • ChemSpider ID21163249

More details:






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

1-[(4-Methoxyphenyl)methyl] 2-(4-hydroxyphenyl)propanedioate
2-(4-Hydroxyphenyl)-3-[(4-methoxybenzyl)oxy]-3-oxopropanoic acid [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)-3-[(4-methoxybenzyl)oxy]-3-oxopropansäure [German] [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester
278-959-1 [EINECS]
78641-40-4 [RN]
Acide 2-(4-hydroxyphényl)-3-[(4-méthoxybenzyl)oxy]-3-oxopropanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-(4-hydroxyphenyl)-, mono[(4-methoxyphenyl)methyl] ester [ACD/Index Name]
[(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate
[(4-Methoxyphenyl)methyl]hydrogen(4-hydroxyphenyl)malonate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 191.0±23.6 °C
Index of Refraction: 1.603
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 237.3±3.0 cm3

Click to predict properties on the Chemicalize site






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