Keminntek Laboratories

CAS 4198-90-7

Chemistry, 2 End Use API, 29 Related Intermediates

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Also known as: 4-hydroxy-3,5-dimethylbenzonitrile, 4198-90-7, 4-cyano-2,6-dimethylphenol, 2,6-dimethyl-4-cyanophenol, 4-hydroxy-3,5-dimethyl-benzonitrile, Benzonitrile, 3,5-dimethyl-4-hydroxy-

Molecular Formula

C₉H₉NO

Molecular Weight

147.17 g/mol

InChI Key

WFYGXOWFEIOHCZ-UHFFFAOYSA-N

FDA UNII

FP7F5WF7R4

1 2D Structure

CAS 4198-90-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-3,5-dimethylbenzonitrile

2.1.2 InChI

InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3

2.1.3 InChI Key

WFYGXOWFEIOHCZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1O)C)C#N

2.2 Other Identifiers

2.2.1 UNII

FP7F5WF7R4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4-hydroxy-3,5-dimethylbenzonitrile

2. 4198-90-7

3. 4-cyano-2,6-dimethylphenol

4. 2,6-dimethyl-4-cyanophenol

5. 4-hydroxy-3,5-dimethyl-benzonitrile

6. Benzonitrile, 3,5-dimethyl-4-hydroxy-

7. Fp7f5wf7r4

8. Chembl4207620

9. Benzonitrile, 4-hydroxy-3,5-dimethyl-

10. Brn 2574734

11. 3,5-dimethyl-4-hydroxy Benzonitrile

12. Mfcd00221716

13. Unii-fp7f5wf7r4

14. Schembl197918

15. Dtxsid00194791

16. Zinc162656

17. Act12497

18. Albb-016105

19. 3,5,-dimethyl-4-hydroxybenzonitrile

20. 3,5-dimethyl-4-hydroxy-benzonitrile

21. 4-hydroxy-3,5-dimethyl Benzonitrile

22. Bdbm50458420

23. 4-hydroxy 3, 5-dimethyl Benzonitrile

24. Akos005256952

25. Ac-8502

26. Cs-w020066

27. Ds-0804

28. Pb30622

29. Ps-4473

30. Sb10009

31. Ac-19781

32. Bp-10033

33. 3,5-dimethyl-4-hydroxybenzonitrile, 97%

34. 4-hydroxy-3,5-dimethylbenzonitrile, 98%

35. Db-028298

36. Am20060814

37. D2790

38. Ft-0610687

39. Ft-0614672

40. Ft-0667461

41. En300-91953

42. 876h153

43. J-515484

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO
Molecular Weight	147.17 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	147.068413911 g/mol
Monoisotopic Mass	147.068413911 g/mol
Topological Polar Surface Area	44 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	169
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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CAS Number

183322-18-1

End Use API

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sect...

Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sector in specific Pharmaceutical Intermediates, Speciality Chemicals, Impurities and Active Pharmaceutical Ingredients. Our vision is to build Keminntek Laboratories into a world class leading pharmaceutical service provider based on innovation while keeping health & prosperity in mind. Imperatively, we will continue our business with high standards of ethics in the interest of society and environment. We are committed towards improving people’s health through science and innovation.

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