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    Chemistry

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    Also known as: 10601-19-1, 5-methoxyindole-3-carboxaldehyde, 3-formyl-5-methoxyindole, 5-methoxyindole-3-carboxyaldehyde, 5-methoxy-indol-3-aldehyde, 5-methoxy-3-formylindole
    Molecular Formula
    C10H9NO2
    Molecular Weight
    175.18  g/mol
    InChI Key
    TUWARWGEOHQXCO-UHFFFAOYSA-N
    FDA UNII
    63C50ZW2D0
    5-Methoxyindole-3-Carboxaldehyde
    1 2D Structure

    5-Methoxyindole-3-Carboxaldehyde

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-methoxy-1H-indole-3-carbaldehyde
    2.1.2 InChI
    InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3
    2.1.3 InChI Key
    TUWARWGEOHQXCO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=C1)NC=C2C=O
    2.2 Other Identifiers
    2.2.1 UNII
    63C50ZW2D0
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 10601-19-1

    2. 5-methoxyindole-3-carboxaldehyde

    3. 3-formyl-5-methoxyindole

    4. 5-methoxyindole-3-carboxyaldehyde

    5. 5-methoxy-indol-3-aldehyde

    6. 5-methoxy-3-formylindole

    7. 5-methoxyindole-3-carbaldehyde

    8. 1h-indole-3-carboxaldehyde, 5-methoxy-

    9. 5-methoxyindole-3-aldehyde

    10. Mfcd00005623

    11. 5-methoxy-3-indole Carboxaldehyde

    12. 63c50zw2d0

    13. 5-methoxy-1h-indole-3-carboxaldehyde

    14. Nsc-521754

    15. Unii-63c50zw2d0

    16. 5-methoxy-3-indolecarboxaldehyde

    17. Einecs 234-220-5

    18. Nsc521754

    19. 5-methoxy-3-indolealdehyde

    20. Cambridge Id 5190808

    21. 5-methoxyindolyl-3-aldehyde

    22. Oprea1_121493

    23. Mls000575461

    24. Schembl1093746

    25. 5-methoxy-indole-3-carbaldehyde

    26. Chembl1417263

    27. Dtxsid70147471

    28. Chebi:177034

    29. Hms2352k13

    30. Zinc286557

    31. Act03565

    32. Albb-006045

    33. Bcp26978

    34. Indole-3-carboxaldehyde, 5-methoxy-

    35. Stk500559

    36. 5-methoxyindole-3-formaldehyde

    37. Akos000265020

    38. 5-methoxy-1h-indole-3-carbaldehyde #

    39. Ab00456

    40. Ac-8769

    41. Cs-w007560

    42. Nsc 521754

    43. Wt82456

    44. 1h-indole-3-carboxaldehyde, 5-methoxy

    45. Ncgc00245572-01

    46. Smr000184711

    47. Sy001986

    48. 5-methoxyindole-3-carboxaldehyde, >=99%

    49. Db-001317

    50. Am20061194

    51. Ft-0620572

    52. M1268

    53. En300-62417

    54. Vu0208691-3

    55. M-3490

    56. Ab00519716-07

    57. 601m191

    58. 11z-0705

    59. Tert-butyl3-(4-aminophenyl)piperidine-1-carboxylate

    60. Q27263605

    61. F3385-4658

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 175.18 g/mol
    Molecular Formula C10H9NO2
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass175.063328530 g/mol
    Monoisotopic Mass175.063328530 g/mol
    Topological Polar Surface Area42.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity195
    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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