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2D Structure
Also known as: 4-methoxyphenylacetonitrile, 104-47-2, (4-methoxyphenyl)acetonitrile, P-methoxyphenylacetonitrile, P-methoxybenzyl cyanide, Anisylacetonitrile
Molecular Formula
C9H9NO
Molecular Weight
147.17  g/mol
InChI Key
PACGLQCRGWFBJH-UHFFFAOYSA-N
FDA UNII
34M6VU8U7X

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-methoxyphenyl)acetonitrile
2.1.2 InChI
InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
2.1.3 InChI Key
PACGLQCRGWFBJH-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
34M6VU8U7X
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4-methoxyphenylacetonitrile

2. 104-47-2

3. (4-methoxyphenyl)acetonitrile

4. P-methoxyphenylacetonitrile

5. P-methoxybenzyl Cyanide

6. Anisylacetonitrile

7. P-methoxybenzeneacetonitrile

8. Acetonitrile, (p-methoxyphenyl)-

9. Nsc 96

10. Einecs 203-206-0

11. Brn 0509162

12. Dtxsid0051526

13. 4-10-00-00555 (beilstein Handbook Reference)

14. Dtxcid1030076

15. 203-206-0

16. 2-(4-methoxyphenyl)acetonitrile

17. 4-methoxybenzyl Cyanide

18. Mfcd00001919

19. (4-methoxy-phenyl)-acetonitrile

20. (p-methoxyphenyl)acetonitrile

21. 34m6vu8u7x

22. Nsc-96

23. 4-methoxyphenyl-d4-acetonitrile

24. 1219798-74-9

25. 4-anisyl Cyanide

26. 4-methoxybenzeneacetonitrile

27. 4-methoxyphenyl Acetonitrile

28. Nsc96

29. P-anisylacetonitrile

30. P-methoxybenzylcyanide

31. 4-methoxybenzylcyanide

32. 4-methoxy Benzyl Cyanide

33. 4-methoxy-benzyl Cyanide

34. 4-methoxyphenylacetnitrile

35. P-methoxyphenyl Acetonitrile

36. 4-methoxy Phenylacetonitrile

37. Unii-34m6vu8u7x

38. 4-(methoxyphenyl)acetonitrile

39. Schembl103029

40. (4-methoxy-phenyl)acetonitrile

41. Chembl2228958

42. Pacglqcrgwfbjh-uhfffaoysa-

43. 2-(4-methoxyphenyl)-acetonitrile

44. 4-methoxyphenylacetonitrile, 97%

45. 4-methoxyphenylacetic Acid Nitrile

46. Hms1748o04

47. 2-(4-methoxy-phenyl)-acetonitrile

48. Str00862

49. Stl164355

50. Akos000198026

51. Ac-2495

52. Cs-w001932

53. Ts-03569

54. M0856

55. Ns00023306

56. En300-20024

57. F0001-0088

58. Z104476452

59. Inchi=1/c9h9no/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5h,6h2,1h3

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 147.17 g/mol
Molecular Formula C9H9NO
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area33
Heavy Atom Count11
Formal Charge0
Complexity150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1