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Search term: MF = 'C_{8}H_{9}NO_{4}S'
ChemSpider 2D Image | methyl 5-(methylsulfonyl)picolinate | C8H9NO4S

methyl 5-(methylsulfonyl)picolinate

  • Molecular FormulaC8H9NO4S
  • Average mass215.226 Da
  • Monoisotopic mass215.025223 Da
  • ChemSpider ID24605613

More details:

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

1201326-81-9 [RN]
2-Pyridinecarboxylic acid, 5-(methylsulfonyl)-, methyl ester [ACD/Index Name]
5-(Méthylsulfonyl)-2-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(methylsulfonyl)-2-pyridinecarboxylate [ACD/IUPAC Name]
methyl 5-(methylsulfonyl)picolinate
Methyl 5-(methylsulfonyl)pyridine-2-carboxylate
Methyl-5-(methylsulfonyl)-2-pyridincarboxylat [German] [ACD/IUPAC Name]
[1201326-81-9] [RN]
5-(methylsulfonyl)-2-Pyridinecarboxylic acid methyl ester
95%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 425.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 211.2±28.7 °C
    Index of Refraction: 1.517
    Molar Refractivity: 49.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.36
    ACD/LogD (pH 5.5): 0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 24.00
    ACD/LogD (pH 7.4): 0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 24.00
    Polar Surface Area: 82 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 46.0±3.0 dyne/cm
    Molar Volume: 162.3±3.0 cm3

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