ChemSpider 2D Image | 7-Acetyl-2,3,9,10-tetrahydroxy-7-(hydroxymethyl)benzo[b][1]benzofuro[2,3-e][1]benzofuran-6(7H)-one | C21H14O9

7-Acetyl-2,3,9,10-tetrahydroxy-7-(hydroxymethyl)benzo[b][1]benzofuro[2,3-e][1]benzofuran-6(7H)-one

  • Molecular FormulaC21H14O9
  • Average mass410.331 Da
  • Monoisotopic mass410.063782 Da
  • ChemSpider ID74834908

More details:

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

7-Acetyl-2,3,9,10-tetrahydroxy-7-(hydroxymethyl)benzo[b][1]benzofuro[2,3-e][1]benzofuran-6(7H)-on [German] [ACD/IUPAC Name]
7-Acetyl-2,3,9,10-tetrahydroxy-7-(hydroxymethyl)benzo[b][1]benzofuro[2,3-e][1]benzofuran-6(7H)-one [ACD/IUPAC Name]
7-Acétyl-2,3,9,10-tétrahydroxy-7-(hydroxyméthyl)benzo[b][1]benzofuro[2,3-e][1]benzofuran-6(7H)-one [French] [ACD/IUPAC Name]
Dibenzo[d,d']benzo[1,2-b:3,4-b']difuran-6(7H)-one, 7-acetyl-2,3,9,10-tetrahydroxy-7-(hydroxymethyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 547.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 284.9±30.1 °C
Index of Refraction: 1.798
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.52
ACD/KOC (pH 5.5): 187.22
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 6.75
ACD/KOC (pH 7.4): 120.19
Polar Surface Area: 162 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 97.8±3.0 dyne/cm
Molar Volume: 238.4±3.0 cm3

Click to predict properties on the Chemicalize site


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