ChemSpider 2D Image | Methyl 3-[(3-hydroxy-2-methylpropanoyl)oxy]-4-methoxybenzoate | C13H16O6

Methyl 3-[(3-hydroxy-2-methylpropanoyl)oxy]-4-methoxybenzoate

  • Molecular FormulaC13H16O6
  • Average mass268.263 Da
  • Monoisotopic mass268.094696 Da
  • ChemSpider ID78434827

More details:

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

3-[(3-Hydroxy-2-méthylpropanoyl)oxy]-4-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(3-hydroxy-2-methyl-1-oxopropoxy)-4-methoxy-, methyl ester [ACD/Index Name]
Methyl 3-[(3-hydroxy-2-methylpropanoyl)oxy]-4-methoxybenzoate [ACD/IUPAC Name]
Methyl-3-[(3-hydroxy-2-methylpropanoyl)oxy]-4-methoxybenzoat [German] [ACD/IUPAC Name]
methyl 4-methoxy-3-(3'-hydroxy-2'-methyl)propionyloxy-benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 404.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 149.7±20.8 °C
Index of Refraction: 1.520
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.60
ACD/KOC (pH 5.5): 162.34
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.60
ACD/KOC (pH 7.4): 162.34
Polar Surface Area: 82 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 219.9±3.0 cm3

Click to predict properties on the Chemicalize site


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