ChemSpider 2D Image | 4-Methyl-3,6-dioxo-1,4-cyclohexadien-1-olate | C7H5O3

4-Methyl-3,6-dioxo-1,4-cyclohexadien-1-olate

  • Molecular FormulaC7H5O3
  • Average mass137.113 Da
  • Monoisotopic mass137.024414 Da
  • ChemSpider ID58163985

  • Charge - Charge

More details:

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

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methyl-, ion(1-) [ACD/Index Name]
4-Methyl-3,6-dioxo-1,4-cyclohexadien-1-olat [German] [ACD/IUPAC Name]
4-Methyl-3,6-dioxo-1,4-cyclohexadien-1-olate [ACD/IUPAC Name]
4-Méthyl-3,6-dioxo-1,4-cyclohexadién-1-olate [French] [ACD/IUPAC Name]
2-hydroxy-5-methylquinone
2-hydroxy-5-methylquinone(1-)
2-oxido-5-methylquinone
4-methyl-3,6-dioxocyclohexa-1,4-dien-1-olate
  • Miscellaneous

    • Chemical Class:

      An organic anion obtained by deprotonation of the hydroxy group of 2-hydroxy-5-methylquinone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:88190

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

Density:
Boiling Point: 250.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.7±6.0 kJ/mol
Flash Point: 119.7±23.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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