CAS 29943-42-8

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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

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 Formula	C₅H₈O₂
Molecular Weight	100.12 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	100.052429494 g/mol
Monoisotopic Mass	100.052429494 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	70.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1