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  • aspirin ,Acetylsalicylate,Enterosarein,Acenterine,Acylpyrin ,Acetosal,
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    aspirin
    Acetylsalicylate
    Enterosarein
    Acenterine
    Acylpyrin
    Acetosal
    Colfarit
    Acetosalic acid
    ACETYLSALICYLIC ACID
    Enterosarine

    [Structure]
    aspirin ,Acetylsalicylate,Enterosarein,Acenterine,Acylpyrin ,Acetosal,

    [ Properties Computed from Structure]
    Molecular Weight180.15742 [g/mol]
    Molecular FormulaC9H8O4
    XLogP1.4
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count3
    Exact Mass180.042259
    MonoIsotopic Mass180.042259
    Topological Polar Surface Area63.6
    Heavy Atom Count13
    Formal Charge0
    Complexity212
    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-acetyloxybenzoic acid
    Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
    InChI: InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,
    12)/f/h11H

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