CAS 41051-15-4

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2 End Use APIs
38 Related Intermediates

Chemistry

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Also known as: 41051-15-4, Methyl 4-methoxy-3-oxobutanoate, Methyl-4-methoxyacetoacetate, Methyl 4-methoxy-3-oxobutyrate, Butanoic acid, 4-methoxy-3-oxo-, methyl ester, Methyl methoxyacetoacetate

Molecular Formula

C₆H₁₀O₄

Molecular Weight

146.14 g/mol

InChI Key

QGBPKJFJAVDUNC-UHFFFAOYSA-N

1 2D Structure

CAS 41051-15-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-methoxy-3-oxobutanoate

2.1.2 InChI

InChI=1S/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3

2.1.3 InChI Key

QGBPKJFJAVDUNC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCC(=O)CC(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 41051-15-4

2. Methyl 4-methoxy-3-oxobutanoate

3. Methyl-4-methoxyacetoacetate

4. Methyl 4-methoxy-3-oxobutyrate

5. Butanoic Acid, 4-methoxy-3-oxo-, Methyl Ester

6. Methyl Methoxyacetoacetate

7. 4-methoxyacetoacetic Acid Methyl Ester

8. 4-methoxy-3-oxo-butyric Acid Methyl Ester

9. Mfcd00010183

10. 4-methoxy-3-oxo-butanoic Acid Methyl Ester

11. C6h10o4

12. Methyl4-methoxyacetoacetate

13. Methyl 4-methoxyacetoxyacetate

14. Einecs 255-188-9

15. Methyl 4-methoxyacetoacetat

16. Methyl 4-methoxy-acetoacetate

17. Schembl126506

18. Methyl Gamma-methoxyacetoacetate

19. Methyl4-methoxy-3-oxobutanoate

20. Methyl 3-oxo-4-methoxybutyrate

21. Dtxsid1068273

22. Methyl 4-methoxy-3-oxo-butyrate

23. Qgbpkjfjavdunc-uhfffaoysa-

24. Act03050

25. Amy38262

26. Bcp17248

27. Methyl 4-methoxy-3-oxobutanoate #

28. Methyl 4-methoxyacetoacetate, 97%

29. Str00554

30. Zinc2539320

31. Bbl027775

32. Methyl 4-(methyloxy)-3-oxobutanoate

33. Stl185595

34. Akos000120299

35. Cs-w007767

36. Pb47715

37. 4-methoxy-3-oxo-butyric Acid Methylester

38. 4-methoxy-3-oxobutyric Acid Methyl Ester

39. Gamma-methoxyacetoacetic Acid Methyl Ester

40. Sy009587

41. 4-methoxy-3-oxobutanoic Acid Methyl Ester

42. Db-070133

43. Bb 0304803

44. Ft-0628844

45. M1031

46. En300-21370

47. A825415

48. F0001-1159

49. Z1258578273

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀O₄
Molecular Weight	146.14 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	146.05790880 g/mol
Monoisotopic Mass	146.05790880 g/mol
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130
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