ChemSpider 2D Image | 1,4,5-Trihydroxy-3-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one | C18H16O5

1,4,5-Trihydroxy-3-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

  • Molecular FormulaC18H16O5
  • Average mass312.317 Da
  • Monoisotopic mass312.099762 Da
  • ChemSpider ID23252000

More details:

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

1,4,5-Trihydroxy-3-(3-methyl-2-buten-1-yl)-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,4,5-Trihydroxy-3-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one [ACD/IUPAC Name]
1,4,5-Trihydroxy-3-(3-méthyl-2-butén-1-yl)-9H-xanthén-9-one [French] [ACD/IUPAC Name]
1,4,5-trihydroxy-3-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
136364-72-2 [RN]
9H-Xanthen-9-one, 1,4,5-trihydroxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
1,4,5-Trihydroxy-3-(3-methyl-2-butenyl)-9H-xanthen-9-one, 9CI
1,4,5-trihydroxy-3-(3-methylbut-2-en-1-yl)xanthen-9-one
1,4,5-Trihydroxy-3-(3-methyl-but-2-enyl)-xanthen-9-one
1,4,5-Trihydroxy-3-prenylxanthone
More...

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 197.1±23.6 °C
Index of Refraction: 1.676
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.60
ACD/KOC (pH 5.5): 1805.17
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 146.04
ACD/KOC (pH 7.4): 1056.21
Polar Surface Area: 87 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement