CAS 18698-99-2

Chemistry, 2 End Use API, 4 Related Intermediates

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Also known as: 2-(2-cyanophenyl)acetic acid, 18698-99-2, 2-cyanophenylacetic acid, 2-cyanobenzeneacetic acid, (2-cyano-phenyl)-acetic acid, Benzeneacetic acid, 2-cyano-

Molecular Formula

C₉H₇NO₂

Molecular Weight

161.16 g/mol

InChI Key

QLHZKPQKYARBGT-UHFFFAOYSA-N

FDA UNII

JV82PCF67H

1 2D Structure

CAS 18698-99-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-cyanophenyl)acetic acid

2.1.2 InChI

InChI=1S/C9H7NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12)

2.1.3 InChI Key

QLHZKPQKYARBGT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)CC(=O)O)C#N

2.2 Other Identifiers

2.2.1 UNII

JV82PCF67H

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-(2-cyanophenyl)acetic Acid

2. 18698-99-2

3. 2-cyanophenylacetic Acid

4. 2-cyanobenzeneacetic Acid

5. (2-cyano-phenyl)-acetic Acid

6. Benzeneacetic Acid, 2-cyano-

7. Jv82pcf67h

8. Mfcd01646238

9. 698c992

10. (2-cyano-phenyl)-aceticacid

11. Benzeneacetic Acid,2-cyano-

12. Einecs 242-510-8

13. Unii-jv82pcf67h

14. 2-(2-cyanophenyl)aceticacid

15. Ac-907/34120043

16. Schembl3974171

17. Dtxsid30171959

18. Zinc331963

19. Act09017

20. Cl8757

21. Akos005257280

22. N-(2-chloroethyl)aniline Hydrochloride

23. Am83034

24. Cs-w005104

25. Fs-3472

26. (2-cyanophenyl)acetic Acid, Aldrichcpr

27. Ac-28490

28. Sy013014

29. Db-006098

30. Ft-0600186

31. J-500727

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₇NO₂
Molecular Weight	161.16 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	161.047678466 g/mol
Monoisotopic Mass	161.047678466 g/mol
Topological Polar Surface Area	61.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	216
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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Virupaksha Organics

With Virupaksha, you get a quality product with on-time delivery.

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India

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2-(2-cyanophenyl)acetic acid

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CAS Number

18698-99-2

End Use API

Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...

Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.

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Shandong Loncom Pharmaceutical

Shandong Loncom is an R&D-focused manufacturer of Anti-cancer APIs.

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China

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(2-Cyanophenyl)Acetic Acid

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CAS Number

18698-99-2

End Use API

Perampanel

About the Company

Founded in May 2012, it is a wholly-owned subsidiary of Shandong Bestcomm Pharmaceutical CO., Ltd. It is ...

Founded in May 2012, it is a wholly-owned subsidiary of Shandong Bestcomm Pharmaceutical CO., Ltd. It is located in the Qihe Economic Development Zone, Shandong Province. The API pilot test, production base, and preparation production base constructed by the company in accordance with European, American, and other international standards have been put into use, there are currently 13 production lines for oral solid preparations, oral liquid preparations, and API. The preparation workshops for small-volume injections, soft capsules, eye drops, topical medicines, and innovative drug R&D centers are being stepped up.