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  • NSC27924,5472-21-9, N-(7-ethyl-1,2,3,4-tetrahydrophenanthren-9-yl)acet
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC27924
    5472-21-9

    [Structure]
    NSC27924,5472-21-9, N-(7-ethyl-1,2,3,4-tetrahydrophenanthren-9-yl)acet

    [ Properties Computed from Structure]
    Molecular Weight267.36544 [g/mol]
    Molecular FormulaC18H21NO
    XLogP4.9
    H-Bond Donor1
    H-Bond Acceptor1
    Rotatable Bond Count2
    Tautomer Count2
    Exact Mass267.162314
    MonoIsotopic Mass267.162314
    Topological Polar Surface Area29.1
    Heavy Atom Count20
    Formal Charge0
    Complexity353
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-(7-ethyl-1,2,3,4-tetrahydrophenanthren-9-yl)acetamide
    Canonical SMILES: CCC1=CC2=C(C=C3CCCCC3=C2C=C1)NC(=O)C
    InChI: InChI=1/C18H21NO/c1-3-13-8-9-16-15-7-5-4-6-14(15)11-18(17(16)10-13)19-12
    (2)20/h8-11H,3-7H2,1-2H3,(H,19,20)/f/h19H

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