ChemSpider 2D Image | 4-Hydroxy-3,3-dimethyl-2-oxobutanoate | C6H9O4


  • Molecular FormulaC6H9O4
  • Average mass145.134 Da
  • Monoisotopic mass145.050629 Da
  • ChemSpider ID14649571
  • Charge - Charge

More details:

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

4-Hydroxy-3,3-dimethyl-2-oxobutanoat [German] [ACD/IUPAC Name]
4-Hydroxy-3,3-dimethyl-2-oxobutanoate [ACD/IUPAC Name]
4-Hydroxy-3,3-diméthyl-2-oxobutanoate [French] [ACD/IUPAC Name]
Butanoic acid, 4-hydroxy-3,3-dimethyl-2-oxo-, ion(1-) [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 2-dehydropantoic acid. ChEBI CHEBI:11561

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 259.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.7±6.0 kJ/mol
Flash Point: 124.9±19.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -3.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Surface Tension:
Molar Volume:

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