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    Chemistry

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    Also known as:
    Molecular Formula
    C11H10N2O4
    Molecular Weight
    234.21  g/mol
    InChI Key
    SOLQIFINSOHAQD-UHFFFAOYSA-N
    CAS 179688-53-0
    1 2D Structure

    CAS 179688-53-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (7-methoxy-4-oxo-1H-quinazolin-6-yl) acetate
    2.1.2 InChI
    InChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5H,1-2H3,(H,12,13,15)
    2.1.3 InChI Key
    SOLQIFINSOHAQD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1=C(C=C2C(=C1)C(=O)N=CN2)OC
    2.1.5 Isomeric SMILES
    CC(=O)OC1=C(C=C2C(=C1)C(=O)N=CN2)OC
    2.2 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 234.21 g/mol
    Molecular Formula C11H10N2O4
    XLogP30.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass234.06405680 g/mol
    Monoisotopic Mass234.06405680 g/mol
    Topological Polar Surface Area77 A^2
    Heavy Atom Count17
    Formal Charge0
    Complexity355
    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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