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  • NSC407671,2941-87-9, 2,7-dimethyl-9H-fluorene-9-carboxylic acid,Canoni
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC407671
    2941-87-9

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight238.28116 [g/mol]
    Molecular FormulaC16H14O2
    XLogP3.9
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count1
    Exact Mass238.09938
    MonoIsotopic Mass238.09938
    Topological Polar Surface Area37.3
    Heavy Atom Count18
    Formal Charge0
    Complexity312
    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: 2,7-dimethyl-9H-fluorene-9-carboxylic acid
    Canonical SMILES: CC1=CC2=C(C=C1)C3=C(C2C(=O)O)C=C(C=C3)C
    InChI: InChI=1/C16H14O2/c1-9-3-5-11-12-6-4-10(2)8-14(12)15(16(17)18)13(11)7-9/
    h3-8,15H,1-2H3,(H,17,18)/f/h17H

    ChemDrug版权识别码:8351742588123827
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