CAS 30414-53-0

Chemistry, 5 End Use API, 64 Related Intermediates

Manufacturers/Suppliers

5 Suppliers

5 Suppliers

Also known as: Methyl 3-oxopentanoate, 30414-53-0, Methyl propionylacetate, Pentanoic acid, 3-oxo-, methyl ester, 3-oxo-pentanoic acid methyl ester, Mfcd00011705

Molecular Formula

C₆H₁₀O₃

Molecular Weight

130.14 g/mol

InChI Key

XJMIXEAZMCTAGH-UHFFFAOYSA-N

FDA UNII

Y9CQ6VT8U5

1 2D Structure

CAS 30414-53-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-oxopentanoate

2.1.2 InChI

InChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3

2.1.3 InChI Key

XJMIXEAZMCTAGH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)CC(=O)OC

2.2 Other Identifiers

2.2.1 UNII

Y9CQ6VT8U5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Methyl 3-oxopentanoate

2. 30414-53-0

3. Methyl Propionylacetate

4. Pentanoic Acid, 3-oxo-, Methyl Ester

5. 3-oxo-pentanoic Acid Methyl Ester

6. Mfcd00011705

7. 3-oxovaleric Acid Methyl Ester

8. Methyl 3-oxo-n-valerate

9. Valeric Acid, 3-oxo-, Methyl Ester

10. Methyl .beta.-ketovalerate

11. Y9cq6vt8u5

12. 3-oxopentanoic Acid Methyl Ester

13. 3-keto-n-valeric Acid Methyl Ester

14. Methyl 3-oxo-pentanoate

15. Methyl3-oxovalerate

16. Einecs 250-184-3

17. Methyl-3-oxovalerate

18. Methyl 3-ketovalerate

19. Methyl 3-oxo-valerate

20. Methyl-3-oxopentanoate

21. Methyl 3-ketopentanoate

22. Methyl-3-ketopentanoate

23. Methyl-3-oxo-pentanoate

24. 3-oxo-methyl Pentanoate

25. 3-oxopentansauremethylester

26. Unii-y9cq6vt8u5

27. Ec 250-184-3

28. Schembl4604

29. 3-oxovaleric Acid Methylester

30. 3-ketovaleric Acid Methyl Ester

31. Xjmixeazmctagh-uhfffaoysa-

32. Dtxsid40184499

33. Propionylacetic Acid Methyl Ester

34. 3-oxopentanoic Acid, Methyl Ester

35. Zinc391839

36. Act03020

37. Amy21932

38. Ac7866

39. Stl185597

40. Akos000120601

41. Cs-w011110

42. Gs-3030

43. Sy007180

44. Db-017471

45. Ft-0615941

46. K0035

47. A820360

48. W-106944

49. F0001-0934

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₃
Molecular Weight	130.14 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	130.062994177 g/mol
Monoisotopic Mass	130.062994177 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	118
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