ChemSpider 2D Image | 4-(Methylsulfonyl)-3-(1-pyrrolidinyl)benzoic acid | C12H15NO4S

4-(Methylsulfonyl)-3-(1-pyrrolidinyl)benzoic acid

  • Molecular FormulaC12H15NO4S
  • Average mass269.317 Da
  • Monoisotopic mass269.072174 Da
  • ChemSpider ID21328719

More details:

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

1000018-48-3 [RN]
4-(Methylsulfonyl)-3-(1-pyrrolidinyl)benzoesäure [German] [ACD/IUPAC Name]
4-(Methylsulfonyl)-3-(1-pyrrolidinyl)benzoic acid [ACD/IUPAC Name]
4-(methylsulfonyl)-3-(pyrrolidin-1-yl)benzoic acid
4-METHANESULFONYL-3-(PYRROLIDIN-1-YL)BENZOIC ACID
Acide 4-(méthylsulfonyl)-3-(1-pyrrolidinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methylsulfonyl)-3-(1-pyrrolidinyl)- [ACD/Index Name]
[1000018-48-3] [RN]
1-[5-Carboxy-2-(methylsulfonyl)phenyl]pyrrolidine
1-[5-Carboxy-2-(methylsulphonyl)phenyl]pyrrolidine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD09743732 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 527.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.4±3.0 kJ/mol
    Flash Point: 272.8±30.1 °C
    Index of Refraction: 1.589
    Molar Refractivity: 66.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.87
    ACD/LogD (pH 5.5): -0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.73
    ACD/LogD (pH 7.4): -1.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 54.7±3.0 dyne/cm
    Molar Volume: 198.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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