ChemSpider 2D Image | Methyl 2-[(6,7-dihydroxy-4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)oxy]-4-hydroxy-3-(methoxymethyl)-6-methylbenzoate | C20H20O9

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

  • Molecular FormulaC20H20O9
  • Average mass404.367 Da
  • Monoisotopic mass404.110718 Da
  • ChemSpider ID22369826

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-(méthoxyméthyl)-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-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-6-methylbenzoat [German] [ACD/IUPAC Name]
Compound NP-007517
methyl 2-[(6,7-dihydroxy-4-methyl-1-oxo-3H-2-benzofuran-5-yl)oxy]-4-hydroxy-3-(methoxymethyl)-6-methylbenzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 221.7±25.0 °C
Index of Refraction: 1.631
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.51
ACD/KOC (pH 5.5): 1507.78
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 89.97
ACD/KOC (pH 7.4): 697.43
Polar Surface Area: 132 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 281.6±3.0 cm3

Click to predict properties on the Chemicalize site


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