CAS 14794-31-1

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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

CAS 14794-31-1

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 Formula	C₆H₉ClO₃
Molecular Weight	164.59 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	164.0240218 g/mol
Monoisotopic Mass	164.0240218 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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