咨询热线:028-85335741
药品资讯网--新药研发行业门户!

  • NYLON 2-NYLON 6 COPOLYMER,54590-59-9, 2-aminoacetic acid; azepan-2-one
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    NYLON 2-NYLON 6 COPOLYMER
    54590-59-9

    [Structure]
    NYLON 2-NYLON 6 COPOLYMER,54590-59-9, 2-aminoacetic acid; azepan-2-one

    [ Properties Computed from Structure]
    Molecular Weight188.22424 [g/mol]
    Molecular FormulaC8H16N2O3
    H-Bond Donor3
    H-Bond Acceptor4
    Rotatable Bond Count1
    Tautomer Count2
    Exact Mass188.116092
    MonoIsotopic Mass188.116092
    Topological Polar Surface Area92.4
    Heavy Atom Count13
    Formal Charge0
    Complexity133
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-aminoacetic acid; azepan-2-one
    Canonical SMILES: C1CCC(=O)NCC1.C(C(=O)O)N
    InChI: InChI=1/C6H11NO.C2H5NO2/c8-6-4-2-1-3-5-7-6;3-1-2(4)5/h1-5H2,(H,7,8);1,
    3H2,(H,4,5)/f/h7H;4H