ChemSpider 2D Image | 4,5,6-Trihydroxy-7-methoxy-2-benzofuran-1(3H)-one | C9H8O6

4,5,6-Trihydroxy-7-methoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC9H8O6
  • Average mass212.156 Da
  • Monoisotopic mass212.032089 Da
  • ChemSpider ID78434875

More details:

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

1(3H)-Isobenzofuranone, 4,5,6-trihydroxy-7-methoxy- [ACD/Index Name]
4,5,6-Trihydroxy-7-methoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
4,5,6-Trihydroxy-7-methoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
4,5,6-Trihydroxy-7-méthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
Hanabiratakelide C

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

Density: 1.7±0.1 g/cm3
Boiling Point: 644.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 266.6±25.0 °C
Index of Refraction: 1.689
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 60.94
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 29.06
Polar Surface Area: 96 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 125.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement