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您现在的位置：药品资讯网 > 专业资料首页 > 健康论文数据库 > AIDS169867,AIDS-169867,5-Methyl-3-(4-nitrophenyl)-5-hydrofuran-2-one,

  • AIDS169867,AIDS-169867,5-Methyl-3-(4-nitrophenyl)-5-hydrofuran-2-one,
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    AIDS169867
    AIDS-169867
    5-Methyl-3-(4-nitrophenyl)-5-hydrofuran-2-one

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight219.19346 [g/mol]
    Molecular FormulaC11H9NO4
    XLogP2.6
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count1
    Exact Mass219.053158
    MonoIsotopic Mass219.053158
    Topological Polar Surface Area69.4
    Heavy Atom Count16
    Formal Charge0
    Complexity336
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 5-methyl-3-(4-nitrophenyl)-5H-furan-2-one
    Canonical SMILES: CC1C=C(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-]
    InChI: InChI=1/C11H9NO4/c1-7-6-10(11(13)16-7)8-2-4-9(5-3-8)12(14)15/h2-7H,1H3

    ChemDrug版权识别码:428845304687766848
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