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    Technical details about CAS 79815-20-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 79815-20-6

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 79815-20-6, (s)-indoline-2-carboxylic acid, (2s)-2,3-dihydro-1h-indole-2-carboxylic acid, H-idc-oh, (s)-2,3-dihydro-1h-indole-2-carboxylic acid, L-indoline-2-carboxylic acid
    Molecular Formula
    C9H9NO2
    Molecular Weight
    163.17  g/mol
    InChI Key
    QNRXNRGSOJZINA-QMMMGPOBSA-N
    FDA UNII
    57XK524B7M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2,3-dihydro-1H-indole-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1
    2.1.3 InChI Key
    QNRXNRGSOJZINA-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    C1C(NC2=CC=CC=C21)C(=O)O
    2.1.5 Isomeric SMILES
    C1[C@H](NC2=CC=CC=C21)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    57XK524B7M
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 79815-20-6

    2. (s)-indoline-2-carboxylic Acid

    3. (2s)-2,3-dihydro-1h-indole-2-carboxylic Acid

    4. H-idc-oh

    5. (s)-2,3-dihydro-1h-indole-2-carboxylic Acid

    6. L-indoline-2-carboxylic Acid

    7. S-(-)-indoline-2-carboxylic Acid

    8. (s)-(-)-indoline-2-carboxylicacid

    9. 1h-indole-2-carboxylic Acid, 2,3-dihydro-, (2s)-

    10. 57xk524b7m

    11. Indoline-2-carboxylic Acid, (s)-

    12. L-(-)-indoline-2-carboxylic Acid

    13. 799815-20-6

    14. Mfcd00070578

    15. (s)-(-)-indolin-2-carboxylic Acid

    16. S-dic

    17. Cds1_000178

    18. (s)-2-carboxyindoline

    19. Maybridge1_002466

    20. Ec 410-860-2

    21. 2-indolinecarboxylic Acid #

    22. 2(s)-indolinecarboxylic Acid

    23. S-indoline-2-carboxylic Acid

    24. Mls000849837

    25. Divk1c_001218

    26. Schembl926388

    27. Unii-57xk524b7m

    28. (s)-indole-2-carboxylic Acid

    29. Indoline-2(s)-carboxylic Acid

    30. Chembl1423103

    31. (-)-indoline-2-carboxylic Acid

    32. Hms548i02

    33. (s)-1h-indole-2-carboxylic Acid

    34. Dtxsid101036449

    35. Hms2789h07

    36. Zinc133574

    37. S-(-)-indolium-2-carboxylic Acid

    38. Cs-m1849

    39. (s)-(-)-indoline-2carboxylic Acid

    40. Ccg-47414

    41. (2s)-indoline-2alpha-carboxylic Acid

    42. Akos005257756

    43. Akos010367743

    44. Ac-3075

    45. Fs-2244

    46. Indolinecarboxylic((s)-(-)-2-) Acid

    47. (2s)-(-)-indoline-2-carboxylic Acid

    48. Ncgc00246667-01

    49. S-(-)indoline-2-carboxylic Acid

    50. Smr000455855

    51. (2s)-2,3-dihydroindole-2-carboxylic Acid

    52. Am20060465

    53. I0395

    54. (s)-(-)-indoline-2-carboxylic Acid, 99%

    55. En300-59226

    56. 15i206

    57. I-5091

    58. 2,3-dihydro-(2s)-1h-indole-2-carboxylic Acid

    59. (-)-2,3-dihydroindole-2-carboxylic Acid

    60. A839763

    61. Sr-01000637030-1

    62. (s)-(+)-2,3-dihydro-1h-indole-2-carboxylic Acid

    63. Z1698565929

    64. (2s)-indoline-2-carboxylic Acid;(s)-indoline-2-carboxylic Acid

    65. (s)-(-)-indoline-2-carboxylic Acid 100 Microg/ml In Acetonitrile

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 163.17 g/mol
    Molecular Formula C9H9NO2
    XLogP31.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass163.063328530 g/mol
    Monoisotopic Mass163.063328530 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1