ChemSpider 2D Image | 6-Methyl-2-oxo-2H-pyran-4-olate | C6H5O3

6-Methyl-2-oxo-2H-pyran-4-olate

  • Molecular FormulaC6H5O3
  • Average mass125.103 Da
  • Monoisotopic mass125.024422 Da
  • ChemSpider ID24785637

  • Charge - Charge

More details:

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

2H-Pyran-2-one, 4-hydroxy-6-methyl-, ion(1-) [ACD/Index Name]
6-Methyl-2-oxo-2H-pyran-4-olat [German] [ACD/IUPAC Name]
6-Methyl-2-oxo-2H-pyran-4-olate [ACD/IUPAC Name]
6-Méthyl-2-oxo-2H-pyran-4-olate [French] [ACD/IUPAC Name]
triacetate lactone
triacetate lactone oxoanion
triacetate lactone(1-)
Triacetic acid lactone

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

5254089 [DBID]
  • Miscellaneous

    • Chemical Class:

      Conjugate base of triacetate lactone arising from deprotonation of the 4-hydroxy group; major species at pH 7.3. ChEBI CHEBI:57778

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

Density:
Boiling Point: 239.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.3±6.0 kJ/mol
Flash Point: 108.7±20.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.78
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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