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    39713-40-1 manufacturers and suppliers on PharmaCompass

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    39713-40-1

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    39713-40-1
    Also known as: 39713-40-1, 7,8-dihydro-6h-cyclohepta[b]pyridine-5,9-dione, 5h,6h,7h,8h,9h-cyclohepta[b]pyridine-5,9-dione, Schembl829095, Dtxsid10704385, Mfcd16293377
    Molecular Formula
    C10H9NO2
    Molecular Weight
    175.18  g/mol
    InChI Key
    INMIEUQKQXVBKR-UHFFFAOYSA-N
    1 2D Structure

    39713-40-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7,8-dihydro-6H-cyclohepta[b]pyridine-5,9-dione
    2.1.2 InChI
    InChI=1S/C10H9NO2/c12-8-4-1-5-9(13)10-7(8)3-2-6-11-10/h2-3,6H,1,4-5H2
    2.1.3 InChI Key
    INMIEUQKQXVBKR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)C2=C(C(=O)C1)N=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 39713-40-1

    2. 7,8-dihydro-6h-cyclohepta[b]pyridine-5,9-dione

    3. 5h,6h,7h,8h,9h-cyclohepta[b]pyridine-5,9-dione

    4. Schembl829095

    5. Dtxsid10704385

    6. Mfcd16293377

    7. Akos015924408

    8. As-68606

    9. Cs-0010811

    10. I11706

    11. 2-amino-4-chloro-5-methylbenzenesulfonylchloride

    12. En300-1265738

    13. 7,8-dihydro-6h-cyclohepta[b]-pyridine-5,9-dione

    14. F1967-1763

    15. Z1255429539

    2.3 Create Date
    2011-11-16
    3 Chemical and Physical Properties
    Molecular Weight 175.18 g/mol
    Molecular Formula C10H9NO2
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area47
    Heavy Atom Count13
    Formal Charge0
    Complexity237
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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