ChemSpider 2D Image | 2-Hydroxyethyl 3,5-dihydroxy-4-oxo-2,5-cyclohexadiene-1-carboxylate | C9H10O6

2-Hydroxyethyl 3,5-dihydroxy-4-oxo-2,5-cyclohexadiene-1-carboxylate

  • Molecular FormulaC9H10O6
  • Average mass214.172 Da
  • Monoisotopic mass214.047745 Da
  • ChemSpider ID24207604

More details:

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

2,5-Cyclohexadiene-1-carboxylic acid, 3,5-dihydroxy-4-oxo-, 2-hydroxyethyl ester [ACD/Index Name]
2-Hydroxyethyl 3,5-dihydroxy-4-oxo-2,5-cyclohexadiene-1-carboxylate [ACD/IUPAC Name]
2-Hydroxyethyl-3,5-dihydroxy-4-oxo-2,5-cyclohexadien-1-carboxylat [German] [ACD/IUPAC Name]
3,5-Dihydroxy-4-oxo-2,5-cyclohexadiène-1-carboxylate de 2-hydroxyéthyle [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1-carboxylic acid, 3,5-dihydroxy-4-oxo-, 2-hydroxyethyl ester (9CI)
2-hydroxyethyl 3,5-dihydroxy-4-oxocyclohexa-2,5-dienecarboxylate
463301-80-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 224.8±23.6 °C
Index of Refraction: 1.641
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.76
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 104 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 94.1±3.0 dyne/cm
Molar Volume: 131.1±3.0 cm3

Click to predict properties on the Chemicalize site


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