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CAS 152922-71-9
PharmaCompass
CAS 152922-71-9
Also known as: 1-(hydroxymethyl)cyclopropaneacetonitrile, 2-(1-(hydroxymethyl)cyclopropyl)acetonitrile, 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile, (1-hydroxymethyl-cyclopropyl)-acetonitrile, [1-(hydroxymethyl)cyclopropyl]acetonitrile, Cyclopropaneacetonitrile, 1-(hydroxymethyl)-
Molecular Formula
C6H9NO
Molecular Weight
111.144  g/mol
InChI Key
WYOMLUMUVAPMKE-UHFFFAOYSA-N

1 2D Structure

CAS 152922-71-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[1-(hydroxymethyl)cyclopropyl]acetonitrile
2.1.2 InChI
InChI=1S/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2
2.1.3 InChI Key
WYOMLUMUVAPMKE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1(CC#N)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1-(hydroxymethyl)cyclopropaneacetonitrile

2. 2-(1-(hydroxymethyl)cyclopropyl)acetonitrile

3. 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile

4. (1-hydroxymethyl-cyclopropyl)-acetonitrile

5. [1-(hydroxymethyl)cyclopropyl]acetonitrile

6. Cyclopropaneacetonitrile, 1-(hydroxymethyl)-

7. Sbb056220

8. 1-(hydroxymethyl)cyclopropaneacetonitril

9. 2-[1-(hydroxymethyl)-cyclopropyl]-acetonitrile

10. Pubchem10345

11. Montelukast Intermediates

12. Schembl642970

13. Jsp002956

14. Ctk8h0609

15. Ks-00000zdw

16. Dtxsid90433348

17. Molport-001-770-788

18. Wyomlumuvapmke-uhfffaoysa-n

19. Ebd45011

20. 1-hydroxymethylcyclopropylacetonitrile

21. Ch-020

22. Mfcd08235273

23. Zinc16125367

24. Akos013154494

25. Ac-1173

26. Am84486

27. An-6798

28. Rp19021

29. (1-hydroxymethylcyclopropyl)acetonitrile

30. [1-(cyanomethyl)cycloprop-1-yl]methanol

31. 1,1-cyclopropane Dimethanol Cylic Sufite

32. 1-(hydroxymethyl)cyclopropyl Acetonitrile

33. 1-(hydroxymethyl)cycolpropane Acetonitrile

34. Aj-68440

35. Ak117257

36. Bc200534

37. Kb-09557

38. Or036197

39. Or189370

40. Or224759

41. R234

42. Sc-35800

43. Ts-01430

44. 2-[(hydroxymethyl)cyclopropyl]ethanenitrile

45. Ab0018064

46. St2403784

47. Tl8001135

48. 4ch-019242

49. Ft-0659853

50. 1-(cyanomethyl)-1-(hydroxymethyl)cyclopropane

51. En300-92089

52. [1-(hydroxymethyl)cyclopropyl]acetonitrile 97%

53. M-3602

54. 922h719

55. J-503557

56. 1-(hydroxymethyl)cyclopropaneacetonitrile, Aldrichcpr

57. 3b1-001616

58. 1-hydroxymethyl Cyclopropyl Acetonitrile (montelukast Intermediates)

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 111.144 g/mol
Molecular Formula C6H9NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass111.068 g/mol
Monoisotopic Mass111.068 g/mol
Topological Polar Surface Area44 A^2
Heavy Atom Count8
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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