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Also known as: 2024-83-1, Veratronitrile, 4-cyanoveratrole, Benzonitrile, 3,4-dimethoxy-, 3,4-dimethoxybenzoic acid nitrile, Mfcd00001802
Molecular Formula
C9H9NO2
Molecular Weight
163.17  g/mol
InChI Key
OSEQIDSFSBWXRE-UHFFFAOYSA-N

2024-83-1
1 2D Structure

2024-83-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,4-dimethoxybenzonitrile
2.1.2 InChI
InChI=1S/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H3
2.1.3 InChI Key
OSEQIDSFSBWXRE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)C#N)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2024-83-1

2. Veratronitrile

3. 4-cyanoveratrole

4. Benzonitrile, 3,4-dimethoxy-

5. 3,4-dimethoxybenzoic Acid Nitrile

6. Mfcd00001802

7. 3.4-dimethoxybenzonitrile

8. 3,4-dimethoxy-benzonitrile

9. Einecs 217-969-2

10. Benzonitrile,4-dimethoxy-

11. 23024-83-1

12. 4-cyano-1,2-dimethoxybenzene

13. 1-cyano-3,4-dimethoxylbenzene

14. Nsc27016

15. 3,4-dimethyoxybenzonitrile

16. 3.4-dimethoxy-benzonitrile

17. Schembl509522

18. Dtxsid40942354

19. Hms1715l07

20. Str02561

21. 3,4-dimethoxybenzonitrile, >=99%

22. Ck1047

23. Nsc 27016

24. Nsc-27016

25. Nsc209526

26. Stl356773

27. Akos000198552

28. Am82846

29. Nsc 209526

30. Nsc-209526

31. Ac-11780

32. Ts-02174

33. A4407

34. Cs-0000029

35. D2870

36. Ft-0614356

37. En300-16202

38. Ap-065/41884102

39. W-107634

40. Z54604503

41. F3157-0006

42. Inchi=1/c9h9no2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5h,1-2h

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 163.17 g/mol
Molecular Formula C9H9NO2
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area42.2
Heavy Atom Count12
Formal Charge0
Complexity184
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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