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CAS 162096-54-0

Chemistry, 1 End Use API, 23 Related Intermediates

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Also known as: 162096-54-0, 4-(cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetic acid, 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoic acid, 4-(cyclopropyl carbonyl)-a,a-dimethylphenyl acetic acid, 4-(cyclopropylcarbonyl)-a,a-dimethyl-benzeneaceticacid, Schembl1502290

Molecular Formula

C₁₄H₁₆O₃

Molecular Weight

232.27 g/mol

InChI Key

LOWWEULESZKQRF-UHFFFAOYSA-N

1 2D Structure

CAS 162096-54-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoic acid

2.1.2 InChI

InChI=1S/C14H16O3/c1-14(2,13(16)17)11-7-5-10(6-8-11)12(15)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,17)

2.1.3 InChI Key

LOWWEULESZKQRF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C1=CC=C(C=C1)C(=O)C2CC2)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 162096-54-0

2. 4-(cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetic Acid

3. 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanoic Acid

4. 4-(cyclopropyl Carbonyl)-a,a-dimethylphenyl Acetic Acid

5. 4-(cyclopropylcarbonyl)-a,a-dimethyl-benzeneaceticacid

6. Schembl1502290

7. Dtxsid60431856

8. Mfcd09031253

9. Zinc21991757

10. Akos015911669

11. Ac-18946

12. As-70394

13. Db-064438

14. 4-(cyclopropyl Carbonyl)-a,a-dimethy

15. Cs-0047339

16. Ft-0665390

17. A18269

18. 096c540

19. A1-15835

20. J-009893

21. 2-(4-(cyclopropanecarbonyl)phenyl)-2-methylpropanoicacid

22. 4-(cyclopropylcarbonyl)-?,?-dimethylbenzeneacetic Acid

23. 2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-proprionic Acid

24. Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetic Acid

25. 2-(4-cyclopropanecarbonylphenyl)-2-methylpropanoic Acid

26. 4(cyclopropyl-oxo-methyl)-alpha,alpha-dimethylphenylacetic Acid

27. 4-(cyclopropyl-oxo-methyl)-alpha,alpha-dimethylphenylacetic Acid

28. 4-(cyclopropylcarbonyl)- Alpha , Alpha -dimethylbenzeneacetic Acid

29. Benzeneacetic Acid, 4-(cyclopropylcarbonyl)-alpha,alpha-dimethyl-

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆O₃
Molecular Weight	232.27 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	54.4
Heavy Atom Count	17
Formal Charge	0
Complexity	320
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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Fexofenadine Hydrochloride

About the Company

VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...

VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.

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