ChemSpider 2D Image | (5S)-2,5-Dihydroxy-3-methyl-2-cyclohexene-1,4-dione | C7H8O4

(5S)-2,5-Dihydroxy-3-methyl-2-cyclohexene-1,4-dione

  • Molecular FormulaC7H8O4
  • Average mass156.136 Da
  • Monoisotopic mass156.042252 Da
  • ChemSpider ID26329147
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5S)-2,5-Dihydroxy-3-methyl-2-cyclohexen-1,4-dion [German] [ACD/IUPAC Name]
(5S)-2,5-Dihydroxy-3-methyl-2-cyclohexene-1,4-dione [ACD/IUPAC Name]
(5S)-2,5-Dihydroxy-3-méthyl-2-cyclohexène-1,4-dione [French] [ACD/IUPAC Name]
(5s)-2,5-Dihydroxy-3-Methylcyclohex-2-Ene-1,4-Dione
2-Cyclohexene-1,4-dione, 2,5-dihydroxy-3-methyl-, (5S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 346.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.5±6.0 kJ/mol
Flash Point: 177.8±24.4 °C
Index of Refraction: 1.606
Molar Refractivity: 35.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 102.7±3.0 cm3

Click to predict properties on the Chemicalize site






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