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    Chemistry

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    Also known as: 517-23-7, 3-acetyldihydrofuran-2(3h)-one, Alpha-acetylbutyrolactone, 3-acetyloxolan-2-one, 3-acetyldihydro-2(3h)-furanone, Alpha-acetyl-gamma-butyrolactone
    Molecular Formula
    C6H8O3
    Molecular Weight
    128.13  g/mol
    InChI Key
    OMQHDIHZSDEIFH-UHFFFAOYSA-N
    FDA UNII
    I3D73T5K0Q
    CAS 517-23-7
    1 2D Structure

    CAS 517-23-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-acetyloxolan-2-one
    2.1.2 InChI
    InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3
    2.1.3 InChI Key
    OMQHDIHZSDEIFH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1CCOC1=O
    2.2 Other Identifiers
    2.2.1 UNII
    I3D73T5K0Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4,5-dihydro-3-acetylfuran-2(3h)-one

    2. Alpha-acetyl-gamma-butyrolactone

    2.3.2 Depositor-Supplied Synonyms

    1. 517-23-7

    2. 3-acetyldihydrofuran-2(3h)-one

    3. Alpha-acetylbutyrolactone

    4. 3-acetyloxolan-2-one

    5. 3-acetyldihydro-2(3h)-furanone

    6. Alpha-acetyl-gamma-butyrolactone

    7. 2(3h)-furanone, 3-acetyldihydro-

    8. 2-acetylbutanolide

    9. 2-oxo-3-acetyltetrahydrofuran

    10. 3-acetyltetrahydro-2-furanone

    11. 2-acetyl-gamma-butyrolactone

    12. 3-acetyltetrahydrofuran-2-one

    13. 3-acetyl-2(3h)-4,5-dihydrofuranone

    14. Dihydro-3-acetyl-2(3h)-furanone

    15. 2-acetyl-butyrolactone

    16. .alpha.-acetobutyrolactone

    17. .alpha.-acetylbutyrolactone

    18. 3-acetyldihydrofuran-2-one

    19. Nsc 2019

    20. 2-acetyl-.gamma.-butyrolactone

    21. Mfcd00005394

    22. 3-acetyl-4,5-dihydro-2(3h)-furanone

    23. I3d73t5k0q

    24. 3-acetyl Dihydrofuran-2(3h)-one

    25. Nsc-2019

    26. .alpha.-acetyl-.gamma.-butyrolactone

    27. .alpha.-(2-hydroxyethyl)acetoacetic Acid .gamma.-lactone

    28. 2-acetyl-4-hydroxybutyric Acid .gamma.-lactone

    29. Dsstox_cid_24436

    30. Dsstox_rid_80226

    31. Dsstox_gsid_44436

    32. 2-acetylbutyrolactone; 2-oxo-3-acetyltetrahydrofuran

    33. 3-acetyl-dihydro-2(3h)-furanone

    34. .alpha.-acetyl-.gamma.-hydroxybutyric Acid .gamma.-lactone

    35. Alpha-acetobutyrolactone

    36. Cas-517-23-7

    37. Einecs 208-235-2

    38. Unii-i3d73t5k0q

    39. Ai3-05827

    40. 2-acetyl-4-hydroxybutyric Acid Gamma-lactone

    41. Alpha-acetyl-gamma-hydroxybutyric Acid Gamma-lactone

    42. Alpha-(2-hydroxyethyl)acetoacetic Acid Gamma-lactone

    43. 2-acetyl Butyrolactone

    44. 2-acetyl-4-butyrolactone

    45. Ec 208-235-2

    46. 2-acetyl Gammabutyro Lactone

    47. Schembl26922

    48. 2-acetylbutyrolactone-[13c4]

    49. Chembl3187921

    50. Dtxsid6044436

    51. Alpha-acetyl-gamma-butyro Lactone

    52. Dihydro-3-acetyl-(3h)-furanone

    53. Nsc2019

    54. Chebi:179633

    55. Alpha-acetylbutyrolactone, >=99%

    56. 3-acetyldihydro-2(3h)-furanone #

    57. Tox21_113848

    58. Tox21_302029

    59. Lmfa07040005

    60. Stl135936

    61. Akos000118805

    62. Akos016039401

    63. 3-acetyl-4,5-dihydro-2(3h) Furanone

    64. S12358

    65. .alpha.-acetylbutyrolactone [mi]

    66. Ncgc00253729-01

    67. Ncgc00255829-01

    68. Ac-11752

    69. Bs-16949

    70. Sy001848

    71. Db-052012

    72. A0681

    73. Cs-0015945

    74. Ft-0610983

    75. Ft-0661182

    76. Alpha-acetyl-gamma-hydroxybutyric Acid Lactone

    77. 17a237

    78. Sr-01000944732

    79. Alpha-2-hydroxy-ethylacetoacetic Acid, Gamma-lactone

    80. Q-200224

    81. Sr-01000944732-1

    82. Q10863668

    83. F0001-1347

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 128.13 g/mol
    Molecular Formula C6H8O3
    XLogP30.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass128.047344113 g/mol
    Monoisotopic Mass128.047344113 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity150
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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