ChemSpider 2D Image | Methyl 4-(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2,4-dimethoxybutanoate | C17H20O8

Methyl 4-(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2,4-dimethoxybutanoate

  • Molecular FormulaC17H20O8
  • Average mass352.336 Da
  • Monoisotopic mass352.115814 Da
  • ChemSpider ID22943193

More details:

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

1H-2-Benzopyran-7-butanoic acid, 6,8-dihydroxy-α,γ-dimethoxy-3-methyl-1-oxo-, methyl ester [ACD/Index Name]
4-(6,8-Dihydroxy-3-méthyl-1-oxo-1H-isochromén-7-yl)-2,4-diméthoxybutanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2,4-dimethoxybutanoate [ACD/IUPAC Name]
Methyl-4-(6,8-dihydroxy-3-methyl-1-oxo-1H-isochromen-7-yl)-2,4-dimethoxybutanoat [German] [ACD/IUPAC Name]
Compound NP-001051
Methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 206.6±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 89.87
ACD/KOC (pH 5.5): 851.27
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 7.4): 105.26
Polar Surface Area: 112 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

Click to predict properties on the Chemicalize site


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