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2D Structure
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

1 2D Structure

2D Structure

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