ChemSpider 2D Image | 4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylate | C7H7O5

4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylate

  • Molecular FormulaC7H7O5
  • Average mass171.128 Da
  • Monoisotopic mass171.029892 Da
  • ChemSpider ID24785422
  • Charge - Charge


More details:






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

1-Cyclohexene-1-carboxylic acid, 4,5-dihydroxy-3-oxo-, ion(1-) [ACD/Index Name]
4,5-Dihydroxy-3-oxo-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
4,5-Dihydroxy-3-oxo-1-cyclohexène-1-carboxylate [French] [ACD/IUPAC Name]
3-dehydro-shikimate
3-dehydroshikimic acid*5-dehydroshikimic acid*5-dehydroshikimate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 405.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 213.0±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.65
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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