ChemSpider 2D Image | 4-[(Carboxymethyl)(methylsulfonyl)amino]benzoic acid | C10H11NO6S

4-[(Carboxymethyl)(methylsulfonyl)amino]benzoic acid

  • Molecular FormulaC10H11NO6S
  • Average mass273.262 Da
  • Monoisotopic mass273.030701 Da
  • ChemSpider ID27424782

More details:

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

4-[(Carboxymethyl)(methylsulfonyl)amino]benzoesäure [German] [ACD/IUPAC Name]
4-[(Carboxymethyl)(methylsulfonyl)amino]benzoic acid [ACD/IUPAC Name]
Acide 4-[(carboxyméthyl)(méthylsulfonyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(carboxymethyl)(methylsulfonyl)amino]- [ACD/Index Name]
1242814-39-6 [RN]
4-(Carboxymethyl-methanesulfonyl-amino)-benzoic acid
4-[N-(CARBOXYMETHYL)METHANESULFONAMIDO]BENZOIC ACID
VS-08440

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 551.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.5±3.0 kJ/mol
    Flash Point: 287.2±32.9 °C
    Index of Refraction: 1.630
    Molar Refractivity: 61.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.64
    ACD/LogD (pH 5.5): -3.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 120 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 80.9±3.0 dyne/cm
    Molar Volume: 172.1±3.0 cm3

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