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  • bicyclo[5.1.0]octan-2-amine,Canonical SMILES: C1CCC(C2CC2C1)N,InChI:
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]
    bicyclo[5.1.0]octan-2-amine,Canonical SMILES: C1CCC(C2CC2C1)N,InChI:

    [ Properties Computed from Structure]
    Molecular Weight125.2114 [g/mol]
    Molecular FormulaC8H15N
    XLogP1.7
    H-Bond Donor1
    H-Bond Acceptor1
    Rotatable Bond Count0
    Exact Mass125.120449
    MonoIsotopic Mass125.120449
    Topological Polar Surface Area26
    Heavy Atom Count9
    Formal Charge0
    Complexity111
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count3
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: bicyclo[5.1.0]octan-2-amine
    Canonical SMILES: C1CCC(C2CC2C1)N
    InChI: InChI=1/C8H15N/c9-8-4-2-1-3-6-5-7(6)8/h6-8H,1-5,9H2

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