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2D Structure
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

2D Structure

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 Weight 146.14 g/mol
Molecular Formula C6H10O4
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass146.05790880 g/mol
Monoisotopic Mass146.05790880 g/mol
Topological Polar Surface Area52.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1