ChemSpider 2D Image | 3-[2-(Dimethylsulfamoyl)-4,5-dimethoxyphenyl]propanoic acid | C13H19NO6S

3-[2-(Dimethylsulfamoyl)-4,5-dimethoxyphenyl]propanoic acid

  • Molecular FormulaC13H19NO6S
  • Average mass317.358 Da
  • Monoisotopic mass317.093292 Da
  • ChemSpider ID35496457

More details:

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

3-[2-(Dimethylsulfamoyl)-4,5-dimethoxyphenyl]propanoic acid [ACD/IUPAC Name]
3-[2-(Dimethylsulfamoyl)-4,5-dimethoxyphenyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[2-(diméthylsulfamoyl)-4,5-diméthoxyphényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-[(dimethylamino)sulfonyl]-4,5-dimethoxy- [ACD/Index Name]
1263211-96-6 [RN]
3-(2-(N,N-dimethylsulfamoyl)-4,5-dimethoxyphenyl)propanoic acid
3-(2-Dimethylsulfamoyl-4,5-dimethoxy-phenyl)-propionic acid
MFCD18324783

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 492.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.0±3.0 kJ/mol
    Flash Point: 251.7±31.5 °C
    Index of Refraction: 1.536
    Molar Refractivity: 77.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): 0.45
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.73
    ACD/LogD (pH 7.4): -1.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 47.3±3.0 dyne/cm
    Molar Volume: 246.9±3.0 cm3

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