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    CAS 927-74-2
    Also known as: But-3-yn-1-ol, 927-74-2, 3-butynol, 3-butyne-1-ol, 4-hydroxy-1-butyne, 3-butynyl alcohol
    Molecular Formula
    C4H6O
    Molecular Weight
    70.09  g/mol
    InChI Key
    OTJZCIYGRUNXTP-UHFFFAOYSA-N
    FDA UNII
    P74L430293
    1 2D Structure

    CAS 927-74-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    but-3-yn-1-ol
    2.1.2 InChI
    InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2
    2.1.3 InChI Key
    OTJZCIYGRUNXTP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C#CCCO
    2.2 Other Identifiers
    2.2.1 UNII
    P74L430293
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. But-3-yn-1-ol

    2. 927-74-2

    3. 3-butynol

    4. 3-butyne-1-ol

    5. 4-hydroxy-1-butyne

    6. 3-butynyl Alcohol

    7. 1-butyn-4-ol

    8. 2-hydroxyethylacetylene

    9. (2-hydroxyethyl)acetylene

    10. Homopropargyl Alcohol

    11. 4-hydroxy-butyne

    12. Nsc 9708

    13. 4-butyne-1-ol

    14. 4-hydroxy-but-1-yne

    15. Nsc-9708

    16. P74l430293

    17. 1-butyne-4-ol

    18. Einecs 213-161-9

    19. Mfcd00002955

    20. Brn 0773710

    21. 4-hydroxybutyne

    22. Ai3-25453

    23. 3-butyn-ol

    24. Unii-p74l430293

    25. 3butyn-1-ol

    26. 1-hydroxy-3-butyne

    27. 1-hydroxybut-3-yne

    28. 3-butin-1-ol

    29. 3-butyn-1 Ol

    30. But-3-yne-1-ol

    31. Homopropargylic Alcohol

    32. 3-but-yn-1-ol

    33. Bmse000362

    34. Hc.$.cch2ch2oh

    35. Wln: Q3uu1

    36. 3-butyn-1-ol, 97%

    37. 4-01-00-02219 (beilstein Handbook Reference)

    38. But-3-yn-1-ol;3-butynol

    39. Dtxsid1022136

    40. Chebi:27444

    41. Nsc9708

    42. Act08938

    43. Bcp33461

    44. Str09821

    45. Zinc1700120

    46. Akos000121102

    47. Cs-w001947

    48. Sb40659

    49. Bp-31076

    50. Db-028414

    51. B0799

    52. Ft-0615274

    53. C06146

    54. A844341

    55. Q223060

    56. F0001-2231

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 70.09 g/mol
    Molecular Formula C4H6O
    XLogP30.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass70.041864811 g/mol
    Monoisotopic Mass70.041864811 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count5
    Formal Charge0
    Complexity47.9
    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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