ChemSpider 2D Image | 3-Methyl-5,6-dioxo-1,3-cyclohexadiene-1-sulfonic acid | C7H6O5S

3-Methyl-5,6-dioxo-1,3-cyclohexadiene-1-sulfonic acid

  • Molecular FormulaC7H6O5S
  • Average mass202.184 Da
  • Monoisotopic mass201.993591 Da
  • ChemSpider ID24211847

More details:






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

1,3-Cyclohexadiene-1-sulfonic acid, 3-methyl-5,6-dioxo- [ACD/Index Name]
3-Methyl-5,6-dioxo-1,3-cyclohexadien-1-sulfonsäure [German] [ACD/IUPAC Name]
3-Methyl-5,6-dioxo-1,3-cyclohexadiene-1-sulfonic acid [ACD/IUPAC Name]
Acide 3-méthyl-5,6-dioxo-1,3-cyclohexadiène-1-sulfonique [French] [ACD/IUPAC Name]
1,3-Cyclohexadiene-1-sulfonic acid, 3-methyl-5,6-dioxo- (9CI)
3-methyl-5,6-dioxocyclohexa-1,3-diene-1-sulfonic acid
773028-46-9 [RN]
MFCD18805541

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 42.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 124.0±5.0 cm3

Click to predict properties on the Chemicalize site






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