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    CAS 5337-93-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5337-93-9, 1-(p-tolyl)propan-1-one, 4-methylpropiophenone, P-methylpropiophenone, 1-(4-methylphenyl)propan-1-one, 1-propanone, 1-(4-methylphenyl)-
    Molecular Formula
    C10H12O
    Molecular Weight
    148.20  g/mol
    InChI Key
    PATYHUUYADUHQS-UHFFFAOYSA-N
    FDA UNII
    8490C17WAB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-methylphenyl)propan-1-one
    2.1.2 InChI
    InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
    2.1.3 InChI Key
    PATYHUUYADUHQS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)C1=CC=C(C=C1)C
    2.2 Other Identifiers
    2.2.1 UNII
    8490C17WAB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5337-93-9

    2. 1-(p-tolyl)propan-1-one

    3. 4-methylpropiophenone

    4. P-methylpropiophenone

    5. 1-(4-methylphenyl)propan-1-one

    6. 1-propanone, 1-(4-methylphenyl)-

    7. P-tolyl Ethyl Ketone

    8. P-methyl Propiophenone

    9. 1-p-tolylpropan-1-one

    10. Mfcd00009312

    11. 1-p-tolyl-propan-1-one

    12. 1-(4-methylphenyl)-1-propanone

    13. Nsc-852

    14. 8490c17wab

    15. Nsc852

    16. Einecs 226-267-5

    17. 4''-methylpropiophenone

    18. Ai3-04217

    19. Propiophenone, 4'-methyl-

    20. Schembl507067

    21. Unii-8490c17wab

    22. 4'-methylpropiophenone, 95%

    23. 1-(4-methylphenyl)-1-propanon

    24. Chebi:59335

    25. Patyhuuyaduhqs-uhfffaoysa-

    26. Dtxsid00201535

    27. Nsc 852

    28. 1-(4-methylphenyl)-propan-1-one

    29. Zinc1587635

    30. Stl163482

    31. Akos000121491

    32. Cs-w017746

    33. Ac-10918

    34. As-14586

    35. Sy049111

    36. Db-052325

    37. Ft-0619105

    38. M0768

    39. 4'-methylpropiophenone, 90%, Technical Grade

    40. D71258

    41. 4 Inverted Exclamation Mark -methylpropiophenone

    42. J-650362

    43. W-105742

    44. Q27126638

    45. 4'-methylpropiophenone, Vetec(tm) Reagent Grade, 96%

    46. F0001-1381

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 148.20 g/mol
    Molecular Formula C10H12O
    XLogP32.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass148.088815002 g/mol
    Monoisotopic Mass148.088815002 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity132
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1