ChemSpider 2D Image | [(6R)-6-Hydroperoxy-6-hydroxy-3-oxo-1,4-cyclohexadien-1-yl]acetic acid | C8H8O6

[(6R)-6-Hydroperoxy-6-hydroxy-3-oxo-1,4-cyclohexadien-1-yl]acetic acid

  • Molecular FormulaC8H8O6
  • Average mass200.145 Da
  • Monoisotopic mass200.032089 Da
  • ChemSpider ID35033825

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(6R)-6-Hydroperoxy-6-hydroxy-3-oxo-1,4-cyclohexadien-1-yl]acetic acid [ACD/IUPAC Name]
[(6R)-6-Hydroperoxy-6-hydroxy-3-oxo-1,4-cyclohexadien-1-yl]essigsäure [German] [ACD/IUPAC Name]
1,4-Cyclohexadiene-1-acetic acid, 6-hydroperoxy-6-hydroxy-3-oxo-, (6R)- [ACD/Index Name]
2-[(6r)-6-(Dioxidanyl)-6-Oxidanyl-3-Oxidanylidene-Cyclohexa-1,4-Dien-1-Yl]ethanoic Acid
Acide [(6R)-6-hydroperoxy-6-hydroxy-3-oxo-1,4-cyclohexadién-1-yl]acétique [French] [ACD/IUPAC Name]
HMQ

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

Density: 1.6±0.1 g/cm3
Boiling Point: 552.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 231.7±23.6 °C
Index of Refraction: 1.623
Molar Refractivity: 43.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 122.6±5.0 cm3

Click to predict properties on the Chemicalize site


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