ChemSpider 2D Image | 4,4'-[(1,6-Dioxo-1,6-hexanediyl)bis(oxy)]bis(3-nitrobenzenesulfonic acid) | C18H16N2O14S2

4,4'-[(1,6-Dioxo-1,6-hexanediyl)bis(oxy)]bis(3-nitrobenzenesulfonic acid)

  • Molecular FormulaC18H16N2O14S2
  • Average mass548.455 Da
  • Monoisotopic mass548.004272 Da
  • ChemSpider ID117036

More details:

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

4,4'-[(1,6-Dioxo-1,6-hexandiyl)bis(oxy)]bis(3-nitrobenzolsulfonsäure) [German] [ACD/IUPAC Name]
4,4'-[(1,6-Dioxo-1,6-hexanediyl)bis(oxy)]bis(3-nitrobenzenesulfonic acid) [ACD/IUPAC Name]
4,4'-[(1,6-Dioxohexane-1,6-diyl)bis(oxy)]bis(3-nitrobenzenesulfonic acid)
Acide 4,4'-[(1,6-dioxo-1,6-hexanediyl)bis(oxy)]bis(3-nitrobenzènesulfonique) [French] [ACD/IUPAC Name]
Hexanedioic acid, bis(2-nitro-4-sulfophenyl) ester [ACD/Index Name]
143392-33-0 [RN]
2-nitro-4-sulfophenyl adipate
2-Nspa
4,4'-(Adipoylbis(oxy))bis(3-nitrobenzenesulfonic acid)
Bis(2-nitro-4-sulfophenyl) hexanedioate

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 77.5±3.0 dyne/cm
Molar Volume: 327.8±3.0 cm3

Click to predict properties on the Chemicalize site


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