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    CAS 63095-51-2

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    CAS 63095-51-2
    Also known as: 63095-51-2, Brivaracetam intermediate 1, (4r)-4-propyloxolan-2-one, 2(3h)-furanone, dihydro-4-propyl-, (r)-, Lp4ge5vl92, (r)-4-propyl-dihydrofuran-2-one
    Molecular Formula
    C7H12O2
    Molecular Weight
    128.17  g/mol
    InChI Key
    NVTUTJMZAZZKAZ-ZCFIWIBFSA-N
    FDA UNII
    LP4GE5VL92
    1 2D Structure

    CAS 63095-51-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R)-4-propyloxolan-2-one
    2.1.2 InChI
    InChI=1S/C7H12O2/c1-2-3-6-4-7(8)9-5-6/h6H,2-5H2,1H3/t6-/m1/s1
    2.1.3 InChI Key
    NVTUTJMZAZZKAZ-ZCFIWIBFSA-N
    2.1.4 Canonical SMILES
    CCCC1CC(=O)OC1
    2.1.5 Isomeric SMILES
    CCC[C@@H]1CC(=O)OC1
    2.2 Other Identifiers
    2.2.1 UNII
    LP4GE5VL92
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 63095-51-2

    2. Brivaracetam Intermediate 1

    3. (4r)-4-propyloxolan-2-one

    4. 2(3h)-furanone, Dihydro-4-propyl-, (r)-

    5. Lp4ge5vl92

    6. (r)-4-propyl-dihydrofuran-2-one

    7. (r)-dihydro-4-propyl-2(3h)-furanone

    8. (+)-(r)-4-propyl-4,5-dihydrofuran-2(3h)-one

    9. Unii-lp4ge5vl92

    10. Schembl18263291

    11. Amy16477

    12. Mfcd29905061

    13. Zinc34596195

    14. (r)-dihydro-4-propylfuran-2(3h)-one

    15. S10720

    16. Ac-29290

    17. Ds-19249

    18. Cs-0090076

    19. A857888

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 128.17 g/mol
    Molecular Formula C7H12O2
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass128.083729621 g/mol
    Monoisotopic Mass128.083729621 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity110
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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