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Search term: FSUXWGNJCBSLRF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)sulfanyl]acetic acid | C10H8O4S

[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)sulfanyl]acetic acid

  • Molecular FormulaC10H8O4S
  • Average mass224.233 Da
  • Monoisotopic mass224.014328 Da
  • ChemSpider ID34564747

More details:

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

[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(1,3-dihydro-3-oxo-1-isobenzofuranyl)thio]- [ACD/Index Name]
Acide [(3-oxo-1,3-dihydro-2-benzofuran-1-yl)sulfanyl]acétique [French] [ACD/IUPAC Name]
(3-Oxo-1,3-dihydro-isobenzofuran-1-ylsulfanyl)-acetic acid
2-((3-oxo-1,3-dihydroisobenzofuran-1-yl)thio)acetic acid
2-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]acetic acid
94073-29-7 [RN]
C10H8O4S
MFCD28248869

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 478.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.2±3.0 kJ/mol
    Flash Point: 243.0±28.7 °C
    Index of Refraction: 1.654
    Molar Refractivity: 54.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.00
    ACD/LogD (pH 5.5): -0.64
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.28
    ACD/LogD (pH 7.4): -2.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 69.2±5.0 dyne/cm
    Molar Volume: 149.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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