CAS 104-47-2

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24 Related Intermediates

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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

CAS 104-47-2

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 Formula	C₉H₉NO
Molecular Weight	147.17 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	33
Heavy Atom Count	11
Formal Charge	0
Complexity	150
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