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    CAS 139122-19-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 139122-19-3, 4-(2-hydroxyethyl)oxyindole, 1,3-dihydro-4-(2-hydroxyethyl)-2h-indole-2-one, 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one, 4-(2-hydroxyethyl)-1,3-dihydro-2h-indolin-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-2h-indol-2-one
    Molecular Formula
    C10H11NO2
    Molecular Weight
    177.20  g/mol
    InChI Key
    QRTHVOUKWCEPKJ-UHFFFAOYSA-N
    FDA UNII
    6YTE425882
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-hydroxyethyl)-1,3-dihydroindol-2-one
    2.1.2 InChI
    InChI=1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
    2.1.3 InChI Key
    QRTHVOUKWCEPKJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2=C(C=CC=C2NC1=O)CCO
    2.2 Other Identifiers
    2.2.1 UNII
    6YTE425882
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 139122-19-3

    2. 4-(2-hydroxyethyl)oxyindole

    3. 1,3-dihydro-4-(2-hydroxyethyl)-2h-indole-2-one

    4. 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one

    5. 4-(2-hydroxyethyl)-1,3-dihydro-2h-indolin-2-one

    6. 1,3-dihydro-4-(2-hydroxyethyl)-2h-indol-2-one

    7. 2h-indol-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-

    8. 4-(2-hydroxyethyl) Oxyindole

    9. 6yte425882

    10. Unii-6yte425882

    11. 4-hydroxyethyl-2-oxindole

    12. 4-(2-hydroxyethyl)oxindole

    13. 4-(2-hydroxyethyl)-oxindole

    14. Schembl154311

    15. 4-(2-hydroxyethyl)-2-indolinone

    16. Dtxsid401251686

    17. 4-(2-hydroxyethyl)indoline-2-one

    18. Act02510

    19. Bcp09802

    20. Ac-499

    21. Mfcd07782133

    22. Zinc22000127

    23. Akos005258766

    24. Sb66161

    25. As-12995

    26. Db-001172

    27. Cs-0149735

    28. Ft-0647421

    29. H1497

    30. J3.514.493e

    31. C72555

    32. 4-(2-hydroxy-ethyl)-1,3-dihydro-indol-2-one

    33. 122h193

    34. J-503904

    35. Q27265735

    36. Ropinirole Hydrochloride Impurity F [ep Impurity]

    37. 4-(2-hydroxyethyl)-1,3-dihydro-2h-indol-2-one

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 177.20 g/mol
    Molecular Formula C10H11NO2
    XLogP30.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass177.078978594 g/mol
    Monoisotopic Mass177.078978594 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity205
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1