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    Technical details about CAS 82923-75-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 82923-75-9

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 82923-75-9, 1-acetylindoline-2-carboxylic acid, 1-acetyl-2,3-dihydroindole-2-carboxylic acid, 1-acetyl-2,3-dihydro-1h-indole-2-carboxylic acid, 1h-indole-2-carboxylicacid, 1-acetyl-2,3-dihydro-, Schembl2824813
    Molecular Formula
    C11H11NO3
    Molecular Weight
    205.21  g/mol
    InChI Key
    OGMIMMRKTFZDKW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-acetyl-2,3-dihydroindole-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
    2.1.3 InChI Key
    OGMIMMRKTFZDKW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)N1C(CC2=CC=CC=C21)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 82923-75-9

    2. 1-acetylindoline-2-carboxylic Acid

    3. 1-acetyl-2,3-dihydroindole-2-carboxylic Acid

    4. 1-acetyl-2,3-dihydro-1h-indole-2-carboxylic Acid

    5. 1h-indole-2-carboxylicacid, 1-acetyl-2,3-dihydro-

    6. Schembl2824813

    7. 1-acetylindoline-2-carboxylicacid

    8. Dtxsid901335392

    9. 1-acetyl-2-indolinecarboxylic Acid

    10. N-acetyl Indoline-2-carboxylic Acid

    11. N-acetyl-indoline-2-carboxylic Acid

    12. Mfcd02258918

    13. Akos000247158

    14. Akos017342878

    15. Ab16686

    16. Ab21000

    17. Sb64238

    18. Ac-10188

    19. Cs-0005950

    20. Ft-0690340

    21. Ft-0719885

    22. A-1415

    23. D72449

    24. J-002460

    25. F2147-1122

    26. (2r)-1-acetyl-2,3-dihydro-1h-indole-2-carboxylicacid

    27. 1-acetyl-2,3-dihydro-1h-indole-2-carboxylic Acid Methyl Ester

    28. Methyl6-methoxy-1,2,3,4-tetrahydro-quinoline-2-carboxylate

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 205.21 g/mol
    Molecular Formula C11H11NO3
    XLogP30.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area57.6
    Heavy Atom Count15
    Formal Charge0
    Complexity290
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1