ChemSpider 2D Image | (2E,4Z)-4-Hydroxy-6-oxo-2,4-hexadienoate | C6H5O4

(2E,4Z)-4-Hydroxy-6-oxo-2,4-hexadienoate

  • Molecular FormulaC6H5O4
  • Average mass141.102 Da
  • Monoisotopic mass141.019333 Da
  • ChemSpider ID28533069

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2E,4Z)-4-Hydroxy-6-oxo-2,4-hexadienoat [German] [ACD/IUPAC Name]
(2E,4Z)-4-Hydroxy-6-oxo-2,4-hexadienoate [ACD/IUPAC Name]
(2E,4Z)-4-Hydroxy-6-oxo-2,4-hexadiénoate [French] [ACD/IUPAC Name]
2,4-Hexadienoic acid, 4-hydroxy-6-oxo-, ion(1-), (2E,4Z)- [ACD/Index Name]
(2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoate
(2E,4Z)-4-hydroxymuconate semialdehyde(1-)
  • Miscellaneous

    • Chemical Class:

      A 6-oxo monocarboxylic acid anion that is the conjugate base of (2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid, obtained by deprotonation of the carboxy group; major sp; ecies at pH 7.3. ChEBI CHEBI:66947
      A 6-oxo monocarboxylic acid anion that is the conjugate base of (2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:66947

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

Density:
Boiling Point: 314.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.4±6.0 kJ/mol
Flash Point: 158.1±24.4 °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: -0.78
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.26
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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