Sanpra Synthesis

CAS 826-55-1

Chemistry, 3 End Use API, 46 Related Intermediates

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1 Intermediates

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Also known as: 826-55-1, 2-methyl-2-phenylpropanoic acid, 2-methyl-2-phenylpropionic acid, Alpha,alpha-dimethylphenylacetic acid, Dimethylphenylacetic acid, Hydratropic acid, .alpha.-methyl-

Molecular Formula

C₁₀H₁₂O₂

Molecular Weight

164.20 g/mol

InChI Key

YYEROYLAYAVZNW-UHFFFAOYSA-N

FDA UNII

DR8HUH2GYK

1 2D Structure

CAS 826-55-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-2-phenylpropanoic acid

2.1.2 InChI

InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)

2.1.3 InChI Key

YYEROYLAYAVZNW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

DR8HUH2GYK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 826-55-1

2. 2-methyl-2-phenylpropanoic Acid

3. 2-methyl-2-phenylpropionic Acid

4. Alpha,alpha-dimethylphenylacetic Acid

5. Dimethylphenylacetic Acid

6. Hydratropic Acid, .alpha.-methyl-

7. Dr8huh2gyk

8. Mfcd00014332

9. 2-phenyl-2-methylpropionic Acid

10. 2-methyl-2-phenyl-propionic Acid

11. Nsc-28952

12. Nsc-29095

13. .alpha.,.alpha.-dimethylphenylacetic Acid

14. .alpha.,.alpha.-dimethylbenzeneacetic Acid

15. Benzeneacetic Acid,.alpha.-dimethyl-

16. Propionic Acid, 2-methyl-2-phenyl-

17. .alpha.-toluic Acid,.alpha.-dimethyl-

18. Th 4161

19. Unii-dr8huh2gyk

20. 2-methyl-2-phenylpropionicacid

21. Phenylisobuttersaure

22. Einecs 212-556-3

23. Phenylisobutyric Acid

24. Benzeneacetic Acid, .alpha.,.alpha.-dimethyl-

25. Ec 212-556-3

26. Schembl6571

27. A,a-dimethylbenzeneacetic Acid

28. Yyeroylayavznw-uhfffaoysa-

29. Dtxsid90231907

30. 2-methyl-2-phenyl Propanoic Acid

31. 2-methyl-2-phenyl- Propionic Acid

32. 2,2-dimethyl-2-phenyl-acetic Acid

33. Albb-023531

34. Nsc28952

35. Nsc29095

36. Zinc1651856

37. Ac-370

38. Nsc 28952

39. Nsc 29095

40. Alpha, Alpha-dimethylphenylacetic Acid

41. Alpha,alpha-dimethylbenzeneacetic Acid

42. Akos000121417

43. Cs-w004146

44. Alpha , Alpha -dimethylphenylacetic Acid

45. 2,2-dimethyl-2-phenylacetic Acid

46. As-10791

47. Benzeneacetic Acid, Alpha,alpha-dimethyl-

48. Sy001281

49. Db-056644

50. 2-methyl-2-phenylpropanoic Acid, Aldrichcpr

51. Am20041211

52. Ft-0622096

53. P1409

54. L10018

55. Ae-562/43450611

56. W-104168

57. Q27276560

58. Z1270387215

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₂
Molecular Weight	164.20 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	164.083729621 g/mol
Monoisotopic Mass	164.083729621 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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

154477-54-0

End Use API

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.

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