ChemSpider 2D Image | Methyl 2-[(6,7-dihydroxy-4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-4-hydroxy-3-(hydroxymethyl)-6-methylbenzoate | C19H18O9

Methyl 2-[(6,7-dihydroxy-4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-4-hydroxy-3-(hydroxymethyl)-6-methylbenzoate

  • Molecular FormulaC19H18O9
  • Average mass390.341 Da
  • Monoisotopic mass390.095093 Da
  • ChemSpider ID22369825

More details:

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

2-[(6,7-Dihydroxy-4-méthyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-4-hydroxy-3-(hydroxyméthyl)-6-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(1,3-dihydro-6,7-dihydroxy-4-methyl-1-oxo-5-isobenzofuranyl)oxy]-4-hydroxy-3-(hydroxymethyl)-6-methyl-, methyl ester [ACD/Index Name]
Methyl 2-[(6,7-dihydroxy-4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-4-hydroxy-3-(hydroxymethyl)-6-methylbenzoate [ACD/IUPAC Name]
Methyl-2-[(6,7-dihydroxy-4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-4-hydroxy-3-(hydroxymethyl)-6-methylbenzoat [German] [ACD/IUPAC Name]
Compound NP-007516
methyl 2-[(6,7-dihydroxy-4-methyl-1-oxo-3H-2-benzofuran-5-yl)oxy]-4-hydroxy-3-(hydroxymethyl)-6-methylbenzoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 243.9±25.0 °C
Index of Refraction: 1.668
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.55
ACD/KOC (pH 5.5): 551.09
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 29.35
ACD/KOC (pH 7.4): 340.19
Polar Surface Area: 143 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 256.2±3.0 cm3

Click to predict properties on the Chemicalize site


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