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    BUILDING BLOCK

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    Chemistry

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    Also known as: Yzeyxuodtobxbk-uhfffaoysa-n
    Molecular Formula
    C15H17NO4
    Molecular Weight
    275.30  g/mol
    InChI Key
    YZEYXUODTOBXBK-UHFFFAOYSA-N
    CAS 148043-73-6
    1 2D Structure

    CAS 148043-73-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylbut-3-en-2-one
    2.1.2 InChI
    InChI=1S/C15H17NO4/c17-13(10-16-5-7-18-8-6-16)3-1-12-2-4-14-15(9-12)20-11-19-14/h1-4,9H,5-8,10-11H2
    2.1.3 InChI Key
    YZEYXUODTOBXBK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COCCN1CC(=O)C=CC2=CC3=C(C=C2)OCO3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Yzeyxuodtobxbk-uhfffaoysa-n

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 275.30 g/mol
    Molecular Formula C15H17NO4
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area48
    Heavy Atom Count20
    Formal Charge0
    Complexity365
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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