Free Chemical Databases



  • [Synonyms]
    1,4-Naphthalenedione
    p-Naphthoquinone
    1,4-NAPHTHOQUINONE
    alpha-Naphthoquinone
    NAPHTHOQUINONE
    1,4-Naphthylquinone
    nchembio791-comp5
    .alpha.-Naphthoquinone
    USAF CY-10
    naphthalene-1,4-dione

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight158.15344 [g/mol]
    Molecular FormulaC10H6O2
    XLogP1.4
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count0
    Exact Mass158.036779
    MonoIsotopic Mass158.036779
    Topological Polar Surface Area34.1
    Heavy Atom Count12
    Formal Charge0
    Complexity227
    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: naphthalene-1,4-dione
    Canonical SMILES: C1=CC=C2C(=O)C=CC(=O)C2=C1
    InChI: InChI=1/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H



.28125