2024-83-1

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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

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 Formula	C₉H₉NO₂
Molecular Weight	163.17 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	42.2
Heavy Atom Count	12
Formal Charge	0
Complexity	184
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

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