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    CAS 16382-15-3

    PharmaCompass
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    2D Structure
    Also known as: 16382-15-3, Ethyl 5-methyl-1h-indole-2-carboxylate, 2-carbethoxy-5-methylindole, Mfcd00022703, 5-methyl-1h-indole-2-carboxylic acid ethyl ester, Nsc30928
    Molecular Formula
    C12H13NO2
    Molecular Weight
    203.24  g/mol
    InChI Key
    KMVFKXFOPNKHEM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-methyl-1H-indole-2-carboxylate
    2.1.2 InChI
    InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3
    2.1.3 InChI Key
    KMVFKXFOPNKHEM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 16382-15-3

    2. Ethyl 5-methyl-1h-indole-2-carboxylate

    3. 2-carbethoxy-5-methylindole

    4. Mfcd00022703

    5. 5-methyl-1h-indole-2-carboxylic Acid Ethyl Ester

    6. Nsc30928

    7. 5-methylindole-2-carboxylic Acid Ethyl Ester

    8. Schembl85706

    9. Mls000038492

    10. 1h-indole-2-carboxylic Acid, 5-methyl-, Ethyl Ester

    11. Chembl1518533

    12. Dtxsid50283326

    13. 5-methyl-2-(ethoxycarbonyl)indole

    14. Hms2345f09

    15. Zinc129029

    16. Ethyl 5-methyl-2-indolecarboxylate

    17. Bbl012856

    18. Nsc-30928

    19. Stk158196

    20. Akos001476257

    21. Cs-w015452

    22. Pb41011

    23. Ac-26884

    24. Bp-12440

    25. Ns-00008

    26. Smr000034076

    27. Sy040435

    28. Ethyl 5-methylindole-2-carboxylate, 97%

    29. Db-043571

    30. Eu-0000203

    31. Ft-0626132

    32. M-4084

    33. O10710

    34. 382e153

    35. Sr-01000389771

    36. 5-methyl-1h-indole-2-carboxylic Acid, Ethyl Ester

    37. Sr-01000389771-1

    38. 5-methylindole-2-carboxylic Acid Ethyl Ester, Nsc 30928

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 203.24 g/mol
    Molecular Formula C12H13NO2
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass203.094628657 g/mol
    Monoisotopic Mass203.094628657 g/mol
    Topological Polar Surface Area42.1 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity242
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1