ChemSpider 2D Image | (3E)-2-Oxo-3-hexenedioate | C6H4O5

(3E)-2-Oxo-3-hexenedioate

  • Molecular FormulaC6H4O5
  • Average mass156.094 Da
  • Monoisotopic mass156.006973 Da
  • ChemSpider ID28184720

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(3E)-2-Oxo-3-hexendioat [German] [ACD/IUPAC Name]
(3E)-2-Oxo-3-hexenedioate [ACD/IUPAC Name]
(3E)-2-Oxo-3-hexènedioate [French] [ACD/IUPAC Name]
133191-13-6 [RN]
3-Hexenedioic acid, 2-oxo-, ion(2-), (3E)- [ACD/Index Name]
3-Hexenedioic acid, 2-oxo-, ion(2-), (E)-
(3E)-2-oxohex-3-enedioate
  • Miscellaneous

    • Chemical Class:

      2-Oxohex-3-enedioate in which the C=C double bond has E configuration; principal microspecies at pH 7.3. ChEBI CHEBI:64908
      2-Oxohex-3-enedioate in which the C2C double bond has E configuration; principal microspecies at pH 7.3. ChEBI CHEBI:64908

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

Density:
Boiling Point: 387.6±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.9±6.0 kJ/mol
Flash Point: 202.4±22.2 °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: -0.71
ACD/LogD (pH 5.5): -5.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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