ChemSpider 2D Image | 2-hydroxy-5-methoxy-cyclohepta-2,4,6-trien-1-one | C8H8O3

2-hydroxy-5-methoxy-cyclohepta-2,4,6-trien-1-one

  • Molecular FormulaC8H8O3
  • Average mass152.147 Da
  • Monoisotopic mass152.047348 Da
  • ChemSpider ID21127097

More details:

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

2-Hydroxy-5-methoxy-2,4,6-cycloheptatrien-1-on [German] [ACD/IUPAC Name]
2-Hydroxy-5-méthoxy-2,4,6-cycloheptatrién-1-one [French] [ACD/IUPAC Name]
22057-95-0 [RN]
MFCD24688870

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

Density: 1.2±0.1 g/cm3
Boiling Point: 341.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 145.9±21.4 °C
Index of Refraction: 1.559
Molar Refractivity: 39.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.94
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.92
Polar Surface Area: 47 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 123.0±5.0 cm3

Click to predict properties on the Chemicalize site


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