ChemSpider 2D Image | 2,6-Dioxo-6-phenyl-3-hexenoate | C12H9O4

2,6-Dioxo-6-phenyl-3-hexenoate

  • Molecular FormulaC12H9O4
  • Average mass217.198 Da
  • Monoisotopic mass217.050629 Da
  • ChemSpider ID28184663

  • Charge - Charge

More details:

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

2,6-Dioxo-6-phenyl-3-hexenoat [German] [ACD/IUPAC Name]
2,6-Dioxo-6-phenyl-3-hexenoate [ACD/IUPAC Name]
2,6-Dioxo-6-phényl-3-hexénoate [French] [ACD/IUPAC Name]
3-Hexenoic acid, 2,6-dioxo-6-phenyl-, ion(1-) [ACD/Index Name]
2,6-Dioxo-6-phenylhexa-3-enoate
2,6-dioxo-6-phenylhexa-3-enoate(1-)
  • Miscellaneous

    • Chemical Class:

      A dioxo monocarboxylic acid anion that is the conjugate base of 2,6-dioxo-6-phenylhexa-3-enoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:64675

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

Density:
Boiling Point: 404.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 212.7±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability:
Surface Tension:
Molar Volume:

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