ChemSpider 2D Image | 9-Oxo-9H-xanthene-1,3-diyl diacetate | C17H12O6

9-Oxo-9H-xanthene-1,3-diyl diacetate

  • Molecular FormulaC17H12O6
  • Average mass312.274 Da
  • Monoisotopic mass312.063385 Da
  • ChemSpider ID21859030

More details:

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

9H-Xanthen-9-one, 1,3-bis(acetyloxy)- [ACD/Index Name]
9-Oxo-9H-xanthen-1,3-diyl-diacetat [German] [ACD/IUPAC Name]
9-Oxo-9H-xanthene-1,3-diyl diacetate [ACD/IUPAC Name]
Diacétate de 9-oxo-9H-xanthène-1,3-diyle [French] [ACD/IUPAC Name]
Acetic acid 3-acetoxy-9-oxo-9H-xanthen-1-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL467155/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 488.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 218.4±28.8 °C
Index of Refraction: 1.599
Molar Refractivity: 78.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 79.82
ACD/KOC (pH 5.5): 800.09
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.82
ACD/KOC (pH 7.4): 800.09
Polar Surface Area: 79 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 228.9±3.0 cm3

Click to predict properties on the Chemicalize site


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