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    CAS 3891-07-4

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    CAS 3891-07-4
    Also known as: 3891-07-4, 2-phthalimidoethanol, 2-(2-hydroxyethyl)isoindoline-1,3-dione, N-hydroxyethylphthalimide, 1h-isoindole-1,3(2h)-dione, 2-(2-hydroxyethyl)-, 2-(2-hydroxyethyl)isoindole-1,3-dione
    Molecular Formula
    C10H9NO3
    Molecular Weight
    191.18  g/mol
    InChI Key
    MWFLUYFYHANMCM-UHFFFAOYSA-N
    FDA UNII
    61842K53O1
    1 2D Structure

    CAS 3891-07-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-hydroxyethyl)isoindole-1,3-dione
    2.1.2 InChI
    InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2
    2.1.3 InChI Key
    MWFLUYFYHANMCM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=O)N(C2=O)CCO
    2.2 Other Identifiers
    2.2.1 UNII
    61842K53O1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-hydroxyethylphtalimide

    2. 2-hydroxyethylphthalimide

    3. 2-hydroxyethylphthalimide, 15n-labeled

    2.3.2 Depositor-Supplied Synonyms

    1. 3891-07-4

    2. 2-phthalimidoethanol

    3. 2-(2-hydroxyethyl)isoindoline-1,3-dione

    4. N-hydroxyethylphthalimide

    5. 1h-isoindole-1,3(2h)-dione, 2-(2-hydroxyethyl)-

    6. 2-(2-hydroxyethyl)isoindole-1,3-dione

    7. 2-hydroxyethylphthalimide

    8. Phthalimide, N-(2-hydroxyethyl)-

    9. Mfcd00005903

    10. Phthalimide, N-2-hydroxyethyl-

    11. 2-(2-hydroxyethyl)-2,3-dihydro-1h-isoindole-1,3-dione

    12. 2-(2-hydroxyethyl)-1h-isoindole-1,3(2h)-dione

    13. Nsc 2773

    14. Nsc-2773

    15. Nsc 50624

    16. Nsc-50624

    17. 2-(2-hydroxy-ethyl)-isoindole-1,3-dione

    18. 61842k53o1

    19. N-[2-hydroxyethyl]phthalimide

    20. 1h-isoindole-1, 2-(2-hydroxyethyl)-

    21. N-hydroxyethylphthalmde

    22. N-2-hydroxyethyl Phthalimide

    23. Oprea1_140654

    24. Oprea1_661592

    25. Schembl64902

    26. N-(2-hydroxyethyl)-phtalimide

    27. Amy364

    28. N-(2-hydroxyethyl)-phthalimide

    29. Dtxsid1063225

    30. Mwfluyfyhanmcm-uhfffaoysa-

    31. Nsc2773

    32. [n-{2-hydroxyethyl}] Phthalimide

    33. Unii-61842k53o1

    34. N-(.beta.-hydroxyethyl)phthalimide

    35. Nsc50624

    36. Einecs 223-434-4

    37. Bbl036039

    38. Stl356371

    39. N-(2-hydroxyethyl)phthalimide, 99%

    40. Akos000119922

    41. Ab00540

    42. Cs-w021382

    43. 2-(n-phthalimidyl)ethyl Alcohol

    44. S12314

    45. 2-(2-hydroxyethyl) Isoindole-1,3-dione

    46. 2-(2-hydroxyethyl)-1,3-isoindolinedione

    47. Ac-29753

    48. Sy048556

    49. Ai3-02622

    50. Bb 0218473

    51. Ft-0676029

    52. H0245

    53. En300-18323

    54. Ec 223-434-4

    55. 2-(2-hydroxyethyl)-1h-isoindol-1,3(2h)-dione

    56. A925203

    57. 2-(2-hydroxyethyl)-1h-isoindole-1,3 (2h)-dione

    58. J-523590

    59. Q27263319

    60. Z57902232

    61. F0433-0457

    62. Inchi=1/c10h9no3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12h,5-6h2

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 191.18 g/mol
    Molecular Formula C10H9NO3
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area57.6
    Heavy Atom Count14
    Formal Charge0
    Complexity240
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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