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CAS 826-55-1
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 Weight 164.20 g/mol
Molecular Formula C10H12O2
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.083729621 g/mol
Monoisotopic Mass164.083729621 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Bilastine
Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...
Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.
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498-94-2
Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...
Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.
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17178-11-9
Bilastine
Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...
Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.
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4635-59-0
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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-2,2-dimethylbenzeneacetate

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154477-55-1
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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2-(4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1...

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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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Methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1...

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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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phenyl)-2-methylpropanoic acid (Fexofenadine Base)

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83799-24-0
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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115-46-8
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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1620-30-0
Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech ...
Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech Development Zone with a registered capital of 90 million Yuan, is a high-tech joint-stock enterprise and has been engaged in manufacture, R & D and trade. Our major investors are well-known domestic institute and companies including: Xi'an Modern Chemistry Research Institute, Xi'an DongFang Group.,Ltd, Beijing Minghang Science & Technology Development Co., Ltd. etc. We have the self-supported import and export right and our business is dedicated to liquid crystal display materials, organic electroluminescent materials and fine chemicals.
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