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  • NSC120593,NSC168001,61911-77-1, 6-bicyclo[2.2.1]heptanylmethyl N-pheny
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC120593
    NSC168001
    61911-77-1

    [Structure]
    NSC120593,NSC168001,61911-77-1, 6-bicyclo[2.2.1]heptanylmethyl N-pheny

    [ Properties Computed from Structure]
    Molecular Weight245.31686 [g/mol]
    Molecular FormulaC15H19NO2
    XLogP4
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count4
    Tautomer Count2
    Exact Mass245.141579
    MonoIsotopic Mass245.141579
    Topological Polar Surface Area38.3
    Heavy Atom Count18
    Formal Charge0
    Complexity299
    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: 6-bicyclo[2.2.1]heptanylmethyl N-phenylcarbamate
    Canonical SMILES: C1CC2CC1CC2COC(=O)NC3=CC=CC=C3
    InChI: InChI=1/C15H19NO2/c17-15(16-14-4-2-1-3-5-14)18-10-13-9-11-6-7-12(13)8-
    11/h1-5,11-13H,6-10H2,(H,16,17)/f/h16H

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