登录 免费注册 发布信息
咨询热线：028-85335741
药品资讯网--新药研发行业门户!
您现在的位置：药品资讯网 > 专业资料首页 > 健康论文数据库 > [(2E)-6-hydroxy-3-oxo-2-[(Z)-3-phenylprop-2-enylidene]-1-benzofuran-7

  • [(2E)-6-hydroxy-3-oxo-2-[(Z)-3-phenylprop-2-enylidene]-1-benzofuran-7
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight322.3777 [g/mol]
    Molecular FormulaC20H20NO3+
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count4
    Tautomer Count5
    Exact Mass322.144319
    MonoIsotopic Mass322.144319
    Topological Polar Surface Area51
    Heavy Atom Count24
    Formal Charge1
    Complexity505
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count2
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [(2E)-6-hydroxy-3-oxo-2-[(Z)-3-phenylprop-2-enylidene]-1-benzofuran-7-
    yl]methyl-dimethylazanium
    Canonical SMILES: C[NH+](C)CC1=C(C=CC2=C1OC(=CC=CC3=CC=CC=C3)C2=O)O
    Isomeric SMILES: C[NH+](C)CC1=C(C=CC2=C1O/C(=C/C=C\C3=CC=CC=C3)/C2=O)O
    InChI: InChI=1/C20H19NO3/c1-21(2)13-16-17(22)12-11-15-19(23)18(24-20(15)16)10-
    6-9-14-7-4-3-5-8-14/h3-12,22H,13H2,1-2H3/p+1/b9-6-,
    18-10+/fC20H20NO3/h21H/q+1

    ChemDrug版权识别码:7467173144384124766
赞助商链接

健康论文数据库
推荐专业资料
赞助商链接