ChemSpider 2D Image | 2-[(E)-(3,4-Dihydroxyphenyl)(4,5-dioxo-2-cyclohexen-1-ylidene)methyl]benzenesulfonic acid | C19H14O7S

2-[(E)-(3,4-Dihydroxyphenyl)(4,5-dioxo-2-cyclohexen-1-ylidene)methyl]benzenesulfonic acid

  • Molecular FormulaC19H14O7S
  • Average mass386.375 Da
  • Monoisotopic mass386.046021 Da
  • ChemSpider ID34960848

More details:

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

2-[(E)-(3,4-Dihydroxyphenyl)(4,5-dioxo-2-cyclohexen-1-yliden)methyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
2-[(E)-(3,4-Dihydroxyphenyl)(4,5-dioxo-2-cyclohexen-1-ylidene)methyl]benzenesulfonic acid [ACD/IUPAC Name]
Acide 2-[(E)-(3,4-dihydroxyphényl)(4,5-dioxo-2-cyclohexén-1-ylidène)méthyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(E)-(3,4-dihydroxyphenyl)(4,5-dioxo-2-cyclohexen-1-ylidene)methyl]- [ACD/Index Name]
2-[(Z)-(3,4-dihydroxyphenyl)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]besylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 77.6±3.0 dyne/cm
Molar Volume: 246.6±3.0 cm3

Click to predict properties on the Chemicalize site


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