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  • Espirosal,Norgesic,Phlogont,Rheumacyl,Spirosal,Sarocol,Glysal,Glykolsa
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    Espirosal
    Norgesic
    Phlogont
    Rheumacyl
    Spirosal
    Sarocol
    Glysal
    Glykolsalicylat
    Traumasenex
    Kytta-gel

    [Structure]
    Espirosal,Norgesic,Phlogont,Rheumacyl,Spirosal,Sarocol,Glysal,Glykolsa

    [ Properties Computed from Structure]
    Molecular Weight182.1733 [g/mol]
    Molecular FormulaC9H10O4
    XLogP1.8
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count4
    Tautomer Count4
    Exact Mass182.057909
    MonoIsotopic Mass182.057909
    Topological Polar Surface Area66.8
    Heavy Atom Count13
    Formal Charge0
    Complexity169
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-hydroxyethyl 2-hydroxybenzoate
    Canonical SMILES: C1=CC=C(C(=C1)C(=O)OCCO)O
    InChI: InChI=1/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2

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