ChemSpider 2D Image | 5,6-Dihydroxy-2-(2,4,6-trimethoxyphenyl)-1-benzofuran-3-carbaldehyde | C18H16O7

5,6-Dihydroxy-2-(2,4,6-trimethoxyphenyl)-1-benzofuran-3-carbaldehyde

  • Molecular FormulaC18H16O7
  • Average mass344.315 Da
  • Monoisotopic mass344.089600 Da
  • ChemSpider ID24717531

More details:

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

3-Benzofurancarboxaldehyde, 5,6-dihydroxy-2-(2,4,6-trimethoxyphenyl)- [ACD/Index Name]
5,6-Dihydroxy-2-(2,4,6-trimethoxyphenyl)-1-benzofuran-3-carbaldehyd [German] [ACD/IUPAC Name]
5,6-Dihydroxy-2-(2,4,6-trimethoxyphenyl)-1-benzofuran-3-carbaldehyde [ACD/IUPAC Name]
5,6-Dihydroxy-2-(2,4,6-triméthoxyphényl)-1-benzofurane-3-carbaldéhyde [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520533/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 404.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 198.5±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.36
ACD/KOC (pH 5.5): 409.24
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 21.29
ACD/KOC (pH 7.4): 277.81
Polar Surface Area: 98 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 252.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement