ChemSpider 2D Image | 4,5-Dihydroxy-6-methoxy-2-benzofuran-1(3H)-one | C9H8O5

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

  • Molecular FormulaC9H8O5
  • Average mass196.157 Da
  • Monoisotopic mass196.037170 Da
  • ChemSpider ID28287866

More details:

Featured data source
Natural Product Updates

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

1(3H)-Isobenzofuranone, 4,5-dihydroxy-6-methoxy- [ACD/Index Name]
4,5-Dihydroxy-6-methoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
4,5-Dihydroxy-6-methoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
4,5-Dihydroxy-6-méthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
hanabiratakelide A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 228.2±23.6 °C
Index of Refraction: 1.645
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.53
ACD/KOC (pH 5.5): 85.72
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 56.99
Polar Surface Area: 76 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 126.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement