CAS 1490-25-1

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Chemistry

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Also known as: 1490-25-1, Methyl 4-chloro-4-oxobutyrate, Methyl 3-(chloroformyl)propionate, 3-(carbomethoxy)propionyl chloride, Methyl 4-chloro-4-oxo-butanoate, Butanoic acid, 4-chloro-4-oxo-, methyl ester

Molecular Formula

C₅H₇ClO₃

Molecular Weight

150.56 g/mol

InChI Key

SRXOJMOGPYFZKC-UHFFFAOYSA-N

1 2D Structure

CAS 1490-25-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-chloro-4-oxobutanoate

2.1.2 InChI

InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3

2.1.3 InChI Key

SRXOJMOGPYFZKC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)CCC(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1490-25-1

2. Methyl 4-chloro-4-oxobutyrate

3. Methyl 3-(chloroformyl)propionate

4. 3-(carbomethoxy)propionyl Chloride

5. Methyl 4-chloro-4-oxo-butanoate

6. Butanoic Acid, 4-chloro-4-oxo-, Methyl Ester

7. 3-carbomethoxypropionyl Chloride

8. Methyl 3-(chloroformyl)propanoate

9. 4-chloro-4-oxobutyric Acid Methyl Ester

10. 3-(methoxycarbonyl)propanoyl Chloride; 3-(methoxycarbonyl)propionyl Chloride; 3-carbomethoxypropanoyl Chloride; 3-chlorocarbonylpropionic Acid Methyl Ester

11. Methoxycarbonylpropionyl Chloride

12. Nsc10757

13. Einecs 216-077-0

14. Nsc 10757

15. 4-chloro-4-oxo-butanoicacimethylester

16. Carbomethoxypropionyl Chloride

17. 3-carbomethoxypropionylchloride

18. Methyl4-chloro-4-oxobutanoate

19. Schembl124614

20. Methyl-4-chloro-4-oxobutyrate

21. (carbomethoxy)propionyl Chloride

22. 3-carbomethoxy Propionylchloride

23. 3-carbomethoxypropanoyl Chloride

24. 3-carbomethoxyproprionyl Chloride

25. 3-carbometoxy Propionyl Chloride

26. Dtxsid7061728

27. Methyl 3-chlorocarbonylpropionate

28. 3-carbomethoxy-propionyl Chloride

29. Methyl-4-chloro-4-oxo-butanoate

30. Beta-carbomethoxypropionyl Chloride

31. 3-methoxycarbonylpropionyl Chloride

32. 1,4-dioxo-4-methoxybutyl Chloride

33. 3-methoxycarbonyl-propanoyl Chloride

34. Albb-006318

35. Methyl 3-(chlorocarbonyl)propanoate

36. Methyl 3-(chlorocarbonyl)propionate

37. Zinc1712453

38. Beta-methoxycarbonylpropionyl Chloride

39. Mfcd00000750

40. Nsc-10757

41. Stk503831

42. Succinic Acid Monomethylester Chloride

43. 3-(methoxycarbonyl)-propionyl Chloride

44. Akos000120411

45. Methyl 4-chloro-4-oxobutyrate, 97%

46. 4-chloro-4-oxo-butyric Acid Methyl Ester

47. As-54552

48. Db-042966

49. 3-chlorocarbonyl-propionic Acid Methyl Ester

50. Bb 0241838

51. Ft-0633604

52. M2850

53. S11982

54. W-108094

55. Q63399541

56. F8880-0964

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₇ClO₃
Molecular Weight	150.56 g/mol
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	150.0083718 g/mol
Monoisotopic Mass	150.0083718 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	121
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