ChemSpider 2D Image | 4-[(4-Ethoxy-2,4-dioxobutyl)(ethylsulfonyl)amino]-2-methylbenzenesulfonic acid | C15H21NO8S2

4-[(4-Ethoxy-2,4-dioxobutyl)(ethylsulfonyl)amino]-2-methylbenzenesulfonic acid

  • Molecular FormulaC15H21NO8S2
  • Average mass407.459 Da
  • Monoisotopic mass407.070862 Da
  • ChemSpider ID102619703

More details:

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

4-[(4-Ethoxy-2,4-dioxobutyl)(ethylsulfonyl)amino]-2-methylbenzenesulfonic acid [ACD/IUPAC Name]
4-[(4-Ethoxy-2,4-dioxobutyl)(ethylsulfonyl)amino]-2-methylbenzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 4-[(4-éthoxy-2,4-dioxobutyl)(éthylsulfonyl)amino]-2-méthylbenzènesulfonique [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(ethylsulfonyl)(3-methyl-4-sulfophenyl)amino]-3-oxo-, 1-ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 93.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

Click to predict properties on the Chemicalize site


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