ChemSpider 2D Image | 5-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1,2,4-benzenetricarboxylic acid | C22H12O9

5-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1,2,4-benzenetricarboxylic acid

  • Molecular FormulaC22H12O9
  • Average mass420.325 Da
  • Monoisotopic mass420.048126 Da
  • ChemSpider ID32764553

More details:

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

1,2,4-Benzenetricarboxylic acid, 5-(6-hydroxy-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
5-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1,2,4-benzenetricarboxylic acid [ACD/IUPAC Name]
5-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1,2,4-benzoltricarbonsäure [German] [ACD/IUPAC Name]
Acide 5-(6-hydroxy-3-oxo-3H-xanthén-9-yl)-1,2,4-benzènetricarboxylique [French] [ACD/IUPAC Name]
5-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene, 1,2,4-tricarboxylic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 818.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 294.1±27.8 °C
Index of Refraction: 1.801
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 113.6±5.0 dyne/cm
Molar Volume: 236.1±5.0 cm3

Click to predict properties on the Chemicalize site


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