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2D Structure
Also known as: 14794-31-1, Ethyl succinyl chloride, Ethyl 3-(chloroformyl)propionate, Ethyl 4-chloro-4-oxobutyrate, Ethyl 4-chloro-4-oxobutanoate, 3-ethoxycarbonylpropionyl chloride
Molecular Formula
C6H9ClO3
Molecular Weight
164.59  g/mol
InChI Key
IXZFDJXHLQQSGQ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 4-chloro-4-oxobutanoate
2.1.2 InChI
InChI=1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
2.1.3 InChI Key
IXZFDJXHLQQSGQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CCC(=O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 14794-31-1

2. Ethyl Succinyl Chloride

3. Ethyl 3-(chloroformyl)propionate

4. Ethyl 4-chloro-4-oxobutyrate

5. Ethyl 4-chloro-4-oxobutanoate

6. 3-ethoxycarbonylpropionyl Chloride

7. 3-carboethoxypropionyl Chloride

8. Propionic Acid, 3-(chloroformyl)-, Ethyl Ester

9. Mfcd00000751

10. Beta Carbethoxy Propionyl Chloride

11. Ethoxycarbonylpropionyl Chloride

12. Einecs 238-855-9

13. Ethyl Succinoyl Chloride

14. Ethyl4-chloro-4-oxobutanoate

15. 3-carbethoxypropanoyl Chloride

16. Schembl132199

17. Beta-carbethoxypropionylchloride

18. Ethyl4-chloro-4-oxo-butanoate

19. Ethyl 3-chlorocarbonylpropanoate

20. 3-carboethoxy-propionyl Chloride

21. Dtxsid4065818

22. Beta-carboethoxypropionyl Chloride

23. Ethyl 3-(chloroformyl)propanoate

24. .beta.-carbethoxypropionyl Chloride

25. Bcp13635

26. Zinc2242610

27. 3-(ethoxycarbonyl)propionyl Chloride

28. Ethyl 4-chloro-4-oxobutyrate, 95%

29. Akos000121214

30. .beta.-ethoxycarbonylpropionyl Chloride

31. 4-chloro-4-oxobutyric Acid Ethyl Ester

32. 4-chloro-4-oxo-butanoic Acid Ethyl Ester

33. As-12089

34. 3-chlorocarbonyl-propionic Acid Ethyl Ester

35. Db-042904

36. E0368

37. Ft-0625793

38. Ft-0626361

39. J-008428

40. F2190-0032

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 164.59 g/mol
Molecular Formula C6H9ClO3
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass164.0240218 g/mol
Monoisotopic Mass164.0240218 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1