ChemSpider 2D Image | Methyl 4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-9H-xanthene-1-carboxylate | C16H12O7

Methyl 4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-9H-xanthene-1-carboxylate

  • Molecular FormulaC16H12O7
  • Average mass316.262 Da
  • Monoisotopic mass316.058289 Da
  • ChemSpider ID22369676

More details:

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

4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1-xanthenecarboxylic acid methyl ester
4,8-Dihydroxy-6-(hydroxyméthyl)-9-oxo-9H-xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
9H-Xanthene-1-carboxylic acid, 4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-, methyl ester [ACD/Index Name]
Methyl 4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-9H-xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-9H-xanthen-1-carboxylat [German] [ACD/IUPAC Name]
Sydowinol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 612.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 233.0±25.0 °C
Index of Refraction: 1.693
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 14.77
ACD/KOC (pH 5.5): 226.72
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.29
Polar Surface Area: 113 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 202.2±3.0 cm3

Click to predict properties on the Chemicalize site


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