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    Mission CDMO team brings reliability, resourcefulness, & responsiveness in executing your development project.

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as:
    Molecular Formula
    C5H4N4O
    Molecular Weight
    136.11  g/mol
    InChI Key
    FDGQSTZJBFJUBT-UHFFFAOYSA-N
    CAS 146445-70-7
    1 2D Structure

    CAS 146445-70-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,7-dihydropurin-6-one
    2.1.2 InChI
    InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
    2.1.3 InChI Key
    FDGQSTZJBFJUBT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=NC2=C(N1)C(=O)N=CN2
    2.2 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 136.11 g/mol
    Molecular Formula C5H4N4O
    XLogP3-1.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass136.03851076 g/mol
    Monoisotopic Mass136.03851076 g/mol
    Topological Polar Surface Area70.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity190
    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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