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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

CAS 927-74-2
1 2D Structure

CAS 927-74-2

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

BUILDING BLOCK

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