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2D Structure
Also known as: 93-17-4, (3,4-dimethoxyphenyl)acetonitrile, Homoveratronitrile, 3,4-dimethoxybenzyl cyanide, 2-(3,4-dimethoxyphenyl)acetonitrile, Veratryl cyanide
Molecular Formula
C10H11NO2
Molecular Weight
177.20  g/mol
InChI Key
ASLSUMISAQDOOB-UHFFFAOYSA-N
FDA UNII
62C8S706SP

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(3,4-dimethoxyphenyl)acetonitrile
2.1.2 InChI
InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
2.1.3 InChI Key
ASLSUMISAQDOOB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)CC#N)OC
2.2 Other Identifiers
2.2.1 UNII
62C8S706SP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 93-17-4

2. (3,4-dimethoxyphenyl)acetonitrile

3. Homoveratronitrile

4. 3,4-dimethoxybenzyl Cyanide

5. 2-(3,4-dimethoxyphenyl)acetonitrile

6. Veratryl Cyanide

7. 3,4-dimethoxybenzeneacetonitrile

8. Benzeneacetonitrile, 3,4-dimethoxy-

9. Nsc 6324

10. Mfcd00001911

11. Acetonitrile, (3,4-dimethoxyphenyl)-

12. 3,4-dimethoxyphenyl Acetonitrile

13. 3,4-dimethoxy Phenylacetonitrile

14. 62c8s706sp

15. Nsc-6324

16. 2-(3,4-dimethoxyphenyl)-acetonitrile

17. Einecs 202-225-1

18. Acetonitrile, 3,4-(dimethoxyphenyl)-

19. Brn 1956100

20. Unii-62c8s706sp

21. Ai3-23882

22. Acetonitrile, 3,4-dimethoxyphenyl-

23. 2-(3,4-dimethoxyphenyl)ethanenitrile

24. Ec 202-225-1

25. Oprea1_832287

26. Schembl77974

27. 3,4-dimethoxy-benzyl Cyanide

28. 4-10-00-01513 (beilstein Handbook Reference)

29. Wln: Nc1r Co1 Do1

30. 3,4-dimethoxyphenylacetonitirle

31. 3.4-dimethoxyphenylacetonitrile

32. Iflab1_000888

33. 3,4-dimethyoxyphenylacetonitrile

34. Benzeneacetonitrile,4-dimethoxy-

35. 3,4-di Methoxyphenylacetonitrile

36. 3,4-dimethoxyphenyl-acetonitrile

37. Acetonitrile,4-dimethoxyphenyl)-

38. Aslsumisaqdoob-uhfffaoysa-

39. (3,4-dimethoxyphenyl)acetonirile

40. Dtxsid30239220

41. Nsc6324

42. 3,4-dimethoxy-phenyl-acetonitrile

43. 3,4-(dimethoxyphenyl)acetonitrile

44. 3,4-dimethoxy Phenyl Acetonitrile

45. Acetonitrile,4-(dimethoxyphenyl)-

46. Hms1414i08

47. Zinc155251

48. (3,4-dimethoxyphenyl)-acetonitrile

49. Albb-010707

50. (3,4-dimethoxy-phenyl)-acetonitrile

51. Bbl036932

52. Stl195409

53. 2-(3,4-dimethoxyphenyl) Acetonitrile

54. Akos000199051

55. Gs-3047

56. [3,4-bis(methyloxy)phenyl]acetonitrile

57. (3,4-dimethoxyphenyl)acetonitrile, 98%

58. Sy012004

59. 3,4-methyleneoxyphenyl Acetonitrile

60. Am20050420

61. Bb 0240981

62. Cs-0008419

63. D1887

64. Ft-0614353

65. Homoveratronitrile, Purum, >=98.0% (gc)

66. W-100249

67. (3,4-dimethoxyphenyl)acetonitrile(homoveratronitrile)

68. Q27263471

69. F0255-0021

70. Z1262254379

71. 2-(2-chloro-acetylamino)-4-(3,4-dimethoxy-phenyl)-thiophene-3-carboxylicacidethylester

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 177.20 g/mol
Molecular Formula C10H11NO2
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass177.078978594 g/mol
Monoisotopic Mass177.078978594 g/mol
Topological Polar Surface Area42.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1