ChemSpider 2D Image | (3E)-3-(4-Hydroxy-2-cyclohexen-1-ylidene)-2-oxopropanoate | C9H9O4

(3E)-3-(4-Hydroxy-2-cyclohexen-1-ylidene)-2-oxopropanoate

  • Molecular FormulaC9H9O4
  • Average mass181.166 Da
  • Monoisotopic mass181.050629 Da
  • ChemSpider ID28184679

  • Charge - Charge

More details:

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

(3E)-3-(4-Hydroxy-2-cyclohexen-1-yliden)-2-oxopropanoat [German] [ACD/IUPAC Name]
(3E)-3-(4-Hydroxy-2-cyclohexen-1-ylidene)-2-oxopropanoate [ACD/IUPAC Name]
(3E)-3-(4-Hydroxy-2-cyclohexén-1-ylidène)-2-oxopropanoate [French] [ACD/IUPAC Name]
Propanoic acid, 3-(4-hydroxy-2-cyclohexen-1-ylidene)-2-oxo-, ion(1-), (3E)- [ACD/Index Name]
3-(4-hydroxycyclohex-2-en-1-ylidene)-2-oxopropanoate
3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate
3-(4-hydroxycyclohex-2-enylidene)-2-oxopropanoate
3-(4-hydroxycyclohex-2-enylidene)pyruvate(1-)
  • Miscellaneous

    • Chemical Class:

      A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:64789

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

Density:
Boiling Point: 368.9±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 191.1±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
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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