Please Wait
Applying Filters...
Menu
Xls
2D Structure
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

2D Structure

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