ChemSpider 2D Image | 2-Acetyl-5-hydroxy-6-methyl-3-oxo-1,4-cyclohexadien-1-olate | C9H9O4

2-Acetyl-5-hydroxy-6-methyl-3-oxo-1,4-cyclohexadien-1-olate

  • Molecular FormulaC9H9O4
  • Average mass181.166 Da
  • Monoisotopic mass181.050629 Da
  • ChemSpider ID24785379

  • Charge - Charge

More details:

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

2,5-Cyclohexadien-1-one, 2-acetyl-3,5-dihydroxy-4-methyl-, ion(1-) [ACD/Index Name]
2-Acetyl-5-hydroxy-6-methyl-3-oxo-1,4-cyclohexadien-1-olat [German] [ACD/IUPAC Name]
2-Acetyl-5-hydroxy-6-methyl-3-oxo-1,4-cyclohexadien-1-olate [ACD/IUPAC Name]
2-Acétyl-5-hydroxy-6-méthyl-3-oxo-1,4-cyclohexadién-1-olate [French] [ACD/IUPAC Name]
methylphoracetophenone

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

Density:
Boiling Point: 387.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 202.1±24.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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