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    CAS 132127-34-5

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    CAS 132127-34-5
    Also known as: 132127-34-5, (3r,4s)-3-hydroxy-4-phenylazetidin-2-one, 2-azetidinone, 3-hydroxy-4-phenyl-, (3r,4s)-, (3r-cis)-3-hydroxy-4-phenyl-2-azetidinone, Schembl2112084, Dtxsid50436855
    Molecular Formula
    C9H9NO2
    Molecular Weight
    163.17  g/mol
    InChI Key
    FBZSDKXFQUKDLD-JGVFFNPUSA-N
    1 2D Structure

    CAS 132127-34-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4S)-3-hydroxy-4-phenylazetidin-2-one
    2.1.2 InChI
    InChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)/t7-,8+/m0/s1
    2.1.3 InChI Key
    FBZSDKXFQUKDLD-JGVFFNPUSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C2C(C(=O)N2)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)[C@H]2[C@H](C(=O)N2)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 132127-34-5

    2. (3r,4s)-3-hydroxy-4-phenylazetidin-2-one

    3. 2-azetidinone, 3-hydroxy-4-phenyl-, (3r,4s)-

    4. (3r-cis)-3-hydroxy-4-phenyl-2-azetidinone

    5. Schembl2112084

    6. Dtxsid50436855

    7. Act01817

    8. Amy16033

    9. Mfcd07368374

    10. Zinc22061006

    11. Akos006307811

    12. Ac-9031

    13. 133161-35-0

    14. Ds-15677

    15. 3alpha-hydroxy-4alpha-phenylazetidin-2-one

    16. Cs-0130887

    17. H1656

    18. 2-azetidinone,3-hydroxy-4-phenyl-, (3r,4s)-

    19. 127h345

    20. J-501264

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 163.17 g/mol
    Molecular Formula C9H9NO2
    XLogP30.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass163.063328530 g/mol
    Monoisotopic Mass163.063328530 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity187
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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