ChemSpider 2D Image | (4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl) acetate | C9H8O4

(4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl) acetate

  • Molecular FormulaC9H8O4
  • Average mass180.157 Da
  • Monoisotopic mass180.042252 Da
  • ChemSpider ID21127962

More details:

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

4-Hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-hydroxy-5-oxo-1,3,6-cycloheptatrién-1-yle [French] [ACD/IUPAC Name]
2,4,6-CYCLOHEPTATRIEN-1-ONE, 5-(ACETYLOXY)-2-HYDROXY-
4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl acetate
97652-17-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 303.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.0±6.0 kJ/mol
Flash Point: 122.5±21.4 °C
Index of Refraction: 1.564
Molar Refractivity: 44.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.44
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.89
Polar Surface Area: 64 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 136.6±5.0 cm3

Click to predict properties on the Chemicalize site


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