ChemSpider 2D Image | (4S)-4-Hydroxy-3,5-dioxo-1-cyclohexene-1-carboxylate | C7H5O5

(4S)-4-Hydroxy-3,5-dioxo-1-cyclohexene-1-carboxylate

  • Molecular FormulaC7H5O5
  • Average mass169.112 Da
  • Monoisotopic mass169.014252 Da
  • ChemSpider ID128920410

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Hydroxy-3,5-dioxo-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
(4S)-4-Hydroxy-3,5-dioxo-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
(4S)-4-Hydroxy-3,5-dioxo-1-cyclohexène-1-carboxylate [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 4-hydroxy-3,5-dioxo-, ion(1-), (4S)- [ACD/Index Name]
3,5-didehydroshikimate
3,5-didehydroshikimic acid

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

Density:
Boiling Point: 457.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±6.0 kJ/mol
Flash Point: 244.7±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -3.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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