ChemSpider 2D Image | 1,8-Dihydroxy-2,3,5-trimethoxy-9H-xanthen-9-one | C16H14O7

1,8-Dihydroxy-2,3,5-trimethoxy-9H-xanthen-9-one

  • Molecular FormulaC16H14O7
  • Average mass318.278 Da
  • Monoisotopic mass318.073944 Da
  • ChemSpider ID30772609

More details:

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

1,8-Dihydroxy-2,3,5-trimethoxy-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,8-Dihydroxy-2,3,5-trimethoxy-9H-xanthen-9-one [ACD/IUPAC Name]
1,8-Dihydroxy-2,3,5-triméthoxy-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,8-dihydroxy-2,3,5-trimethoxy- [ACD/Index Name]
1415795-50-4 [RN]
Angustin A
AngustinA
MFCD28009377

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 216.1±23.6 °C
Index of Refraction: 1.632
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 32.30
ACD/KOC (pH 5.5): 400.28
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 19.16
Polar Surface Area: 94 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 222.5±3.0 cm3

Click to predict properties on the Chemicalize site


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