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    BUILDING BLOCK

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    Chemistry

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    Also known as: 491833-36-4, (5s)-5-phenylmorpholin-2-one hydrochloride, (5s)-5-phenylmorpholin-2-one hcl, (5s)-5-phenylmorpholin-2-one;hydrochloride, Schembl736275, (5s)-5-phenyl-2-morpholinone hcl
    Molecular Formula
    C10H12ClNO2
    Molecular Weight
    213.66  g/mol
    InChI Key
    QAUUHFOYPUBYQU-SBSPUUFOSA-N
    CAS 491833-36-4
    1 2D Structure

    CAS 491833-36-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5S)-5-phenylmorpholin-2-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C10H11NO2.ClH/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8;/h1-5,9,11H,6-7H2;1H/t9-;/m1./s1
    2.1.3 InChI Key
    QAUUHFOYPUBYQU-SBSPUUFOSA-N
    2.1.4 Canonical SMILES
    C1C(NCC(=O)O1)C2=CC=CC=C2.Cl
    2.1.5 Isomeric SMILES
    C1[C@@H](NCC(=O)O1)C2=CC=CC=C2.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 491833-36-4

    2. (5s)-5-phenylmorpholin-2-one Hydrochloride

    3. (5s)-5-phenylmorpholin-2-one Hcl

    4. (5s)-5-phenylmorpholin-2-one;hydrochloride

    5. Schembl736275

    6. (5s)-5-phenyl-2-morpholinone Hcl

    7. Mfcd27920765

    8. Akos022185929

    9. Ds-7626

    10. (5s)-5-phenylmorpholin-2-one Hcl Salt

    11. (s)-5-phenylmorpholin-2-onehydrochloride

    12. Cs-0016548

    13. P17213

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 213.66 g/mol
    Molecular Formula C10H12ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass213.0556563 g/mol
    Monoisotopic Mass213.0556563 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity187
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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