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    CAS 121-71-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 121-71-1, 3-hydroxyacetophenone, 1-(3-hydroxyphenyl)ethanone, M-hydroxyacetophenone, 3-acetylphenol, Ethanone, 1-(3-hydroxyphenyl)-
    Molecular Formula
    C8H8O2
    Molecular Weight
    136.15  g/mol
    InChI Key
    LUJMEECXHPYQOF-UHFFFAOYSA-N
    FDA UNII
    UV3GO1D90J
    3-hydroxyacetophenone is a natural product found in Dianthus caryophyllus, Panax ginseng, and Helminthostachys zeylanica with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3-hydroxyphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
    2.1.3 InChI Key
    LUJMEECXHPYQOF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC(=CC=C1)O
    2.2 Other Identifiers
    2.2.1 UNII
    UV3GO1D90J
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 121-71-1

    2. 3-hydroxyacetophenone

    3. 1-(3-hydroxyphenyl)ethanone

    4. M-hydroxyacetophenone

    5. 3-acetylphenol

    6. Ethanone, 1-(3-hydroxyphenyl)-

    7. 1-(3-hydroxyphenyl)ethan-1-one

    8. M-acetylphenol

    9. 3-hydroxy Acetophenone

    10. Acetophenone, 3'-hydroxy-

    11. Nsc 2440

    12. Mfcd00002298

    13. Uv3go1d90j

    14. 3-hydroxy-acetophenone

    15. 3-hydroxyphenyl Methyl Ketone

    16. 1-(3-hydroxy-phenyl)-ethanone

    17. Nsc-2440

    18. 3-acetophenol

    19. 1-(3-hydroxyphenyl)ethanone (3-hydroxyacetophenone)

    20. Unii-uv3go1d90j

    21. 3-ethanoylphenol

    22. Nsc2440

    23. 53c

    24. Einecs 204-494-0

    25. 3-hydroxyphenylethanone

    26. 3`-hydroxyacetophenone

    27. 3'-hydroxy-acetophenone

    28. 3\'-hydroxyacetophenone

    29. Acetaminophen Impurity I

    30. Ai3-14650

    31. Schembl42942

    32. 1-(3-hydroxyphenyl) Ethanone

    33. 3'-hydroxyacetophenone, 97%

    34. Chembl404719

    35. Dtxsid5059533

    36. 3'-hydroxyacetophenone, >=99%

    37. Zinc157435

    38. Bcp24455

    39. Hy-y0603

    40. Str01113

    41. Bbl010535

    42. Stl146197

    43. Akos000120755

    44. Ac-3238

    45. Ps-3431

    46. Bp-13222

    47. Sy004849

    48. Db-030053

    49. A0104

    50. Am20050139

    51. Cs-0015375

    52. Ft-0615827

    53. 3 Inverted Exclamation Mark -hydroxyacetophenone

    54. A804776

    55. Ae-562/41047023

    56. 1-(3-hydroxyphenyl)ethanone;3'-hydroxyacetophenone

    57. W-108450

    58. Q15410155

    59. F0001-0349

    60. 1h-benzimidazole, 6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 136.15 g/mol
    Molecular Formula C8H8O2
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass136.052429494 g/mol
    Monoisotopic Mass136.052429494 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity131
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1