ChemSpider 2D Image | (2E,4E)-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate | C7H7O5

(2E,4E)-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate

  • Molecular FormulaC7H7O5
  • Average mass171.128 Da
  • Monoisotopic mass171.029892 Da
  • ChemSpider ID34999747

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoat [German] [ACD/IUPAC Name]
(2E,4E)-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate [ACD/IUPAC Name]
(2E,4E)-2,4-Dihydroxy-5-méthyl-6-oxo-2,4-hexadiénoate [French] [ACD/IUPAC Name]
2,4-Hexadienoic acid, 2,4-dihydroxy-5-methyl-6-oxo-, ion(1-), (2E,4E)- [ACD/Index Name]
(2E,4E)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoate
(E,E)-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
  • Miscellaneous

    • Chemical Class:

      A hydroxy monocarboxylic acid anion that is the conjugate base of 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:85578
      A hydroxy monocarboxylic acid anion that is the conjugate base of trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3 . ChEBI CHEBI:169982

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

Density:
Boiling Point: 333.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 170.0±24.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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