ChemSpider 2D Image | 3-Methoxy-4-[(phenylsulfonyl)oxy]benzoic acid | C14H12O6S

3-Methoxy-4-[(phenylsulfonyl)oxy]benzoic acid

  • Molecular FormulaC14H12O6S
  • Average mass308.306 Da
  • Monoisotopic mass308.035461 Da
  • ChemSpider ID35000267

More details:

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

3-Methoxy-4-[(phenylsulfonyl)oxy]benzoesäure [German] [ACD/IUPAC Name]
3-Methoxy-4-[(phenylsulfonyl)oxy]benzoic acid [ACD/IUPAC Name]
Acide 3-méthoxy-4-[(phénylsulfonyl)oxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-4-[(phenylsulfonyl)oxy]- [ACD/Index Name]
1990118-40-5 [RN]
4-[(BENZENESULFONYL)OXY]-3-METHOXYBENZOIC ACID
4-Benzenesulfonyloxy-3-methoxy-benzoic acid
MFCD29036232
VS-13135

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 524.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 84.1±3.0 kJ/mol
    Flash Point: 271.2±30.1 °C
    Index of Refraction: 1.595
    Molar Refractivity: 74.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 1.31
    ACD/KOC (pH 5.5): 13.52
    ACD/LogD (pH 7.4): -0.29
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 29.6±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 219.6±3.0 cm3

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