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    Chemistry

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    Also known as: 1903632-97-2, Schembl24375480, P20475
    Molecular Formula
    C7H10N2O2
    Molecular Weight
    154.17  g/mol
    InChI Key
    SNBJJRQDOILAAT-UHFFFAOYSA-N
    CAS 1903632-97-2
    1 2D Structure

    CAS 1903632-97-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-propan-2-yl-1,2-dihydropyridazine-3,6-dione
    2.1.2 InChI
    InChI=1S/C7H10N2O2/c1-4(2)5-3-6(10)8-9-7(5)11/h3-4H,1-2H3,(H,8,10)(H,9,11)
    2.1.3 InChI Key
    SNBJJRQDOILAAT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C1=CC(=O)NNC1=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1903632-97-2

    2. Schembl24375480

    3. P20475

    2.3 Create Date
    2016-02-15
    3 Chemical and Physical Properties
    Molecular Weight 154.17 g/mol
    Molecular Formula C7H10N2O2
    XLogP30.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area58.2
    Heavy Atom Count11
    Formal Charge0
    Complexity231
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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