ChemSpider 2D Image | 4-(methylsulfonyl)-2-morpholinobenzoic acid | C12H15NO5S

4-(methylsulfonyl)-2-morpholinobenzoic acid

  • Molecular FormulaC12H15NO5S
  • Average mass285.316 Da
  • Monoisotopic mass285.067108 Da
  • ChemSpider ID24605558

More details:

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

1197193-34-2 [RN]
4-(Methylsulfonyl)-2-(4-morpholinyl)benzoesäure [German] [ACD/IUPAC Name]
4-(Methylsulfonyl)-2-(4-morpholinyl)benzoic acid [ACD/IUPAC Name]
4-(Methylsulfonyl)-2-(morpholin-4-yl)benzoic acid
4-(methylsulfonyl)-2-morpholinobenzoic acid
Acide 4-(méthylsulfonyl)-2-(4-morpholinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(methylsulfonyl)-2-(4-morpholinyl)- [ACD/Index Name]
[1197193-34-2] [RN]
4-(Methylsulfonyl)-2-morpholinobenzoicAcid
4-METHANESULFONYL-2-(MORPHOLIN-4-YL)BENZOIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 551.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.6±3.0 kJ/mol
    Flash Point: 287.6±30.1 °C
    Index of Refraction: 1.577
    Molar Refractivity: 68.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.19
    ACD/LogD (pH 5.5): -1.26
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 53.3±3.0 dyne/cm
    Molar Volume: 207.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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