CAS 927-74-2

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Chemistry

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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

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 Formula	C₄H₆O
Molecular Weight	70.09 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	70.041864811 g/mol
Monoisotopic Mass	70.041864811 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	47.9
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