ChemSpider 2D Image | 6,9,11-Trihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecine-2,8(1H)-dione | C14H16O6

6,9,11-Trihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecine-2,8(1H)-dione

  • Molecular FormulaC14H16O6
  • Average mass280.273 Da
  • Monoisotopic mass280.094696 Da
  • ChemSpider ID28284047

More details:

Featured data source
Natural Product Updates

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

2H-3-Benzoxecin-2,8(1H)-dione, 4,5,6,7-tetrahydro-6,9,11-trihydroxy-4-methyl- [ACD/Index Name]
6,9,11-Trihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecin-2,8(1H)-dion [German] [ACD/IUPAC Name]
6,9,11-Trihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecine-2,8(1H)-dione [ACD/IUPAC Name]
6,9,11-Trihydroxy-4-méthyl-4,5,6,7-tétrahydro-2H-3-benzoxécine-2,8(1H)-dione [French] [ACD/IUPAC Name]
xestodecalactone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 229.4±23.6 °C
Index of Refraction: 1.586
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.53
ACD/KOC (pH 5.5): 160.55
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 3.17
ACD/KOC (pH 7.4): 59.70
Polar Surface Area: 104 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 205.1±3.0 cm3

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