ChemSpider 2D Image | Methyl 7,8-dihydroxy-3-methyl-1-oxo-1H-pyrano[4,3-b][1]benzofuran-9-carboxylate | C14H10O7

Methyl 7,8-dihydroxy-3-methyl-1-oxo-1H-pyrano[4,3-b][1]benzofuran-9-carboxylate

  • Molecular FormulaC14H10O7
  • Average mass290.225 Da
  • Monoisotopic mass290.042664 Da
  • ChemSpider ID26996911

More details:

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

1H-Pyrano[4,3-b]benzofuran-9-carboxylic acid, 7,8-dihydroxy-3-methyl-1-oxo-, methyl ester [ACD/Index Name]
7,8-Dihydroxy-3-méthyl-1-oxo-1H-pyrano[4,3-b][1]benzofurane-9-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 7,8-dihydroxy-3-methyl-1-oxo-1H-pyrano[4,3-b][1]benzofuran-9-carboxylate [ACD/IUPAC Name]
Methyl-7,8-dihydroxy-3-methyl-1-oxo-1H-pyrano[4,3-b][1]benzofuran-9-carboxylat [German] [ACD/IUPAC Name]
7,8-Dihydroxy-3-methyl-1-oxo-1H-pyrano[4,3-b]benzofuran-9-carboxylic acid methyl ester

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

Density: 1.6±0.1 g/cm3
Boiling Point: 370.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 177.8±27.9 °C
Index of Refraction: 1.675
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 74.55
ACD/KOC (pH 5.5): 753.79
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 19.11
ACD/KOC (pH 7.4): 193.20
Polar Surface Area: 106 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 186.7±3.0 cm3

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