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CAS 815-17-8

Chemistry

Chemistry

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Also known as: 815-17-8, 3,3-dimethyl-2-oxobutanoic acid, Trimethylpyruvic acid, Butanoic acid, 3,3-dimethyl-2-oxo-, Tert-butylglyoxylic acid, Pyruvic acid, trimethyl-

Molecular Formula

C₆H₁₀O₃

Molecular Weight

130.14 g/mol

InChI Key

IAWVHZJZHDSEOC-UHFFFAOYSA-N

FDA UNII

29CL615CLH

1 2D Structure

CAS 815-17-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,3-dimethyl-2-oxobutanoic acid

2.1.2 InChI

InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)

2.1.3 InChI Key

IAWVHZJZHDSEOC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

29CL615CLH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 815-17-8

2. 3,3-dimethyl-2-oxobutanoic Acid

3. Trimethylpyruvic Acid

4. Butanoic Acid, 3,3-dimethyl-2-oxo-

5. Tert-butylglyoxylic Acid

6. Pyruvic Acid, Trimethyl-

7. Glyoxylic Acid, Tert-butyl-

8. Nsc-16648

9. Butyric Acid, 3,3-dimethyl-2-oxo-

10. 29cl615clh

11. Mfcd00154352

12. 3,3-dimethyl-2-oxo-butanoic Acid

13. Trimethlpyruvic Acid

14. Unii-29cl615clh

15. Hsdb 5757

16. Einecs 212-418-2

17. Nsc 16648

18. Trimethylpyruvic Acid.

19. Trimethylpyroracemic Acid

20. Trimethylbrenztraubensaure

21. Ai3-11509

22. Trimethylpyruvicacid

23. Dsstox_cid_7314

24. Dsstox_rid_78403

25. Trimethylpyruvic Acid, 95%

26. Dsstox_gsid_27314

27. Schembl271740

28. 3,3-dimethyl-2-oxobutanoicacid

29. Chembl3182620

30. Dtxsid9027314

31. 2-oxo-3,3-dimethylbutyric Acid

32. 3,3-dimethyl-2-oxo-butanoicaci

33. Butyric Acid,3-dimethyl-2-oxo-

34. 2-oxo-3,3-dimethylbutanoic Acid

35. Trimethylpyruvic Acid, Aldrichcpr

36. Butanoic Acid,3-dimethyl-2-oxo-

37. Chebi:180663

38. 3,3-dimethyl-2-oxo Butyric Acid

39. Act03381

40. Amy31056

41. Bcp18772

42. Nsc16648

43. Zinc1747147

44. Tox21_301454

45. Bbl101707

46. Sc1212

47. Stl555503

48. Akos006223638

49. Cs-w005305

50. Ncgc00255112-01

51. As-54581

52. Beta,beta-dimethyl-alpha-oxo-butyric Acid

53. Cas-815-17-8

54. D3609

55. Ft-0657523

56. En300-76124

57. A840151

58. Q-201887

59. Q27254409

60. Trimethylpyruvic Acid 3,3-dimethyl-2-oxobutanoic Acid

61. Z1270384364

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₃
Molecular Weight	130.14 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	130.062994177 g/mol
Monoisotopic Mass	130.062994177 g/mol
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	141
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

815-17-8

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About the Company

We, Shanghai Lianlu Industrial Co., Ltd., have been delivering our clients with the highest grade chemica...

We, Shanghai Lianlu Industrial Co., Ltd., have been delivering our clients with the highest grade chemical products and pharmaceutical ingredients since our inception in 2011. We are a renowned Manufacturer and Exporter of a wide range of products including but not limited to Active Pharmaceutical Ingredients (API's), Pyridoxal-5-Phosphate, Vitamin E Succinate, Vitamin E Calcium Succinate, etc. Today, we have a production capacity of over 30 tonnes and are catering to the requirements of a number of leading organizations in countries such as USA, Canada, India, Russia, Germany and Mexico.

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