ChemSpider 2D Image | 4-(6-hydroxy-3-pyridyl)-4-oxo-butanoate | C9H8NO4

4-(6-hydroxy-3-pyridyl)-4-oxo-butanoate

  • Molecular FormulaC9H8NO4
  • Average mass194.165 Da
  • Monoisotopic mass194.045883 Da
  • ChemSpider ID28533053

  • Charge - Charge

More details:

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

3-Pyridinebutanoic acid, 6-hydroxy-γ-oxo-, ion(1-) [ACD/Index Name]
4-(6-Hydroxy-3-pyridinyl)-4-oxobutanoat [German] [ACD/IUPAC Name]
4-(6-Hydroxy-3-pyridinyl)-4-oxobutanoate [ACD/IUPAC Name]
4-(6-Hydroxy-3-pyridinyl)-4-oxobutanoate [French] [ACD/IUPAC Name]
4-(6-hydroxypyridin-3-yl)-4-oxobutanoate
4-(6-hydroxypyridin-3-yl)-4-oxobutyrate
6-hydroxy-3-succinoyl-pyridine
  • Miscellaneous

    • Chemical Class:

      A 4-oxo monocarboxylic acid anion that is the conjugate base of 4-(6-hydroxypyridin-3-yl)-4-oxobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:66893

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

Density:
Boiling Point: 538.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.7±27.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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