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Also known as: 29943-42-8, 4-oxotetrahydropyran, Oxan-4-one, Dihydro-2h-pyran-4(3h)-one, Tetrahydropyran-4-one, 4h-pyran-4-one, tetrahydro-
Molecular Formula
C5H8O2
Molecular Weight
100.12  g/mol
InChI Key
JMJRYTGVHCAYCT-UHFFFAOYSA-N

CAS 29943-42-8
1 2D Structure

CAS 29943-42-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
oxan-4-one
2.1.2 InChI
InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2
2.1.3 InChI Key
JMJRYTGVHCAYCT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCCC1=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 29943-42-8

2. 4-oxotetrahydropyran

3. Oxan-4-one

4. Dihydro-2h-pyran-4(3h)-one

5. Tetrahydropyran-4-one

6. 4h-pyran-4-one, Tetrahydro-

7. 4-thp

8. 143562-54-3

9. Tetrahydro-2h-pyran-4-one

10. Mfcd00006581

11. Tetrahydro-pyran-4-one

12. Tetrahydro-.gamma.-pyrone

13. Einecs 249-967-2

14. 4-oxacyclohexanone

15. 4-oxotetrahydopyran

16. Tetrahydro-4-pyrone

17. Tetrahydropyran-4-on

18. 4-oxo-tetrahydropyran

19. Tetrahydro-4-pyranone

20. Tetrahydro-pyran4-one

21. Tetrahydropyran-4 One

22. Tetrahydro-pyran-4-on

23. Tetrahydro Pyran-4-one

24. Dihydro-2h-pyran-4-one

25. Tetrahydro-4h-pyran4-one

26. Tetrahydro4h-pyran-4-one

27. 4-oxotetrahydro-2h-pyrane

28. Terahydro-4h-pyran-4-one

29. Tetrahydo-4h-pyran-4-one

30. Tetrahyro-4h-pyran-4-one

31. 4-tetrahydropyranone

32. Schembl3221

33. Tetrahydro-4h-pyrane-4-one

34. Tetrahydro-4-h-pyran-4-one

35. Dihydro-2h-pyran 4(3h)-one

36. Dihydro-2h-pyran-4 (3h)-one

37. Dihydro-2h-pyran-4-(3h)-one

38. Dtxsid70184048

39. 2,3,5,6-tetrahydro-4-pyranone

40. 2,3,5,6-tetrahydropyran-4-one

41. Act01867

42. Albb-008898

43. Bcp27572

44. Cs-d0601

45. Tetrahydro-4h-pyran-4-one, 99%

46. Zinc6661370

47. Bbl027597

48. Stk505649

49. Akos000321371

50. Pb24536

51. Ps-9329

52. Bp-12696

53. A5539

54. Am20090400

55. Ft-0601097

56. T1806

57. En300-43315

58. J-007839

59. Q-201813

60. F0001-0924

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 100.12 g/mol
Molecular Formula C5H8O2
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass100.052429494 g/mol
Monoisotopic Mass100.052429494 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity70.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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