CAS 4835-90-9

Chemistry, 1 End Use API

Chemistry
1 End Use API

Manufacturers/Suppliers

1 Suppliers

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Also known as: 4835-90-9, Hydroxypivalic acid, 3-hydroxypivalic acid, 2,2-dimethyl-3-hydroxypropionic acid, 3-hydroxy-2,2-dimethylpropionic acid, Propanoic acid, 3-hydroxy-2,2-dimethyl-

Molecular Formula

C₅H₁₀O₃

Molecular Weight

118.13 g/mol

InChI Key

RDFQSFOGKVZWKF-UHFFFAOYSA-N

FDA UNII

BJP2CXK56P

1 2D Structure

CAS 4835-90-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-hydroxy-2,2-dimethylpropanoic acid

2.1.2 InChI

InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)

2.1.3 InChI Key

RDFQSFOGKVZWKF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(CO)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

BJP2CXK56P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4835-90-9

2. Hydroxypivalic Acid

3. 3-hydroxypivalic Acid

4. 2,2-dimethyl-3-hydroxypropionic Acid

5. 3-hydroxy-2,2-dimethylpropionic Acid

6. Propanoic Acid, 3-hydroxy-2,2-dimethyl-

7. Bjp2cxk56p

8. Mfcd00059953

9. Nsc-115936

10. Unii-bjp2cxk56p

11. Einecs 225-419-8

12. Nsc 115936

13. 3- Hydroxypivalic Acid

14. Beta-hydroxy Pivalic Acid

15. Hydroxy Pivalic Acid

16. Schembl38932

17. Dtxsid4063616

18. Zinc4100966

19. 2,2-dimethy13-hydroxypropionic Acid

20. 2,2-dimethylhydracrylic Acid

21. 3-hydroxy-2,2-dimethylpropanoicacid

22. Ac7895

23. Geo-01199

24. Nsc115936

25. 2,2-dimethyl-3-hydroxypropanoic Acid

26. Akos006229590

27. 2,2-dimethyl-3-hydroxy Propanoic Acid

28. 2,2-dimethyl-3-hydroxy Propionic Acid

29. 2,2-dimethyl-3-hydroxy-propionic Acid

30. 3-hydroxy-2,2-dimethyl-propionic Acid

31. Am90214

32. Cs-w011224

33. 3-hydroxy-2,2-dimethylpropanoic Acid #

34. Hydracrylic Acid, 2,2-dimethyl-

35. Ac-29208

36. As-15428

37. Bp-30038

38. Sy017233

39. Db-027504

40. Ft-0627156

41. H0661

42. En300-65050

43. 3-hydroxy-2,2-dimethylpropanoic Acid, Aldrichcpr

44. A847217

45. Aq-917/40987623

46. J-660015

47. J-660055

48. Q27274706

49. Z1270446349

50. .alpha.,.alpha.-dimethyl-.beta.-hydroxypropionic Acid

51. 3-hydroxy-2,2-dimethyl-propanoicaci;propanoic Acid, 3-hydroxy-2,2-dimethyl-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₀O₃
Molecular Weight	118.13 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	118.062994177 g/mol
Monoisotopic Mass	118.062994177 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	95.8
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