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    CAS 99-03-6

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    CAS 99-03-6
    Also known as: 1-(3-aminophenyl)ethanone, 99-03-6, M-aminoacetophenone, 3-acetylaniline, 3-aminoacetophenone, Ethanone, 1-(3-aminophenyl)-
    Molecular Formula
    C8H9NO
    Molecular Weight
    135.16  g/mol
    InChI Key
    CKQHAYFOPRIUOM-UHFFFAOYSA-N
    1 2D Structure

    CAS 99-03-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3-aminophenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
    2.1.3 InChI Key
    CKQHAYFOPRIUOM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC(=CC=C1)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 3-aminoacetophenone

    2. M-aminoacetophenone

    3. Meta-aminoacetophenone

    2.2.2 Depositor-Supplied Synonyms

    1. 1-(3-aminophenyl)ethanone

    2. 99-03-6

    3. M-aminoacetophenone

    4. 3-acetylaniline

    5. 3-aminoacetophenone

    6. Ethanone, 1-(3-aminophenyl)-

    7. M-acetylaniline

    8. 1-(3-aminophenyl)ethan-1-one

    9. M-aminoacetylbenzene

    10. Acetophenone, 3'-amino-

    11. Acetophenone, M-amino-

    12. 3-aminoacetofenon

    13. Nsc 7637

    14. .beta.-aminoacetophenone

    15. Mfcd00007796

    16. 1-(3-amino-phenyl)-ethanone

    17. Chembl3408644

    18. Beta-aminoacetophenone

    19. 3-aminoacetofenon [czech]

    20. Einecs 202-722-3

    21. Brn 0386009

    22. Ai3-14674

    23. 3-acetylphenylamine

    24. 3-acetyl-phenylamine

    25. 3-amino Acetophenone

    26. Meta-aminoacetophenone

    27. 3'-amino-acetophenone

    28. Wln: Zr Cv1

    29. Acetophenone,3-amino

    30. 1-(3-aminophenyl)-ethanone

    31. 3'-aminoacetophenone, 97%

    32. 4-14-00-00096 (beilstein Handbook Reference)

    33. Schembl330495

    34. 1-(3-aminophenyl)-1-ethanone

    35. Dtxsid0021830

    36. Amy4151

    37. Nsc7637

    38. Chebi:182866

    39. Zinc157542

    40. 3-aminophenyl Methyl Ketone

    41. Nsc-7637

    42. Str02986

    43. Bdbm50546257

    44. Stl168894

    45. Akos000119494

    46. Cs-w013353

    47. Sy001475

    48. Db-029992

    49. A0249

    50. Ft-0615018

    51. 3 Inverted Exclamation Mark -aminoacetophenone

    52. 3 Inverted Exclamation Marka-aminoacetophenone

    53. 99a036

    54. D70852

    55. W-100056

    56. Q27453668

    57. Z57127443

    58. F2146-0312

    59. 3ao

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 135.16 g/mol
    Molecular Formula C8H9NO
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass135.068413911 g/mol
    Monoisotopic Mass135.068413911 g/mol
    Topological Polar Surface Area43.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity133
    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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