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2D Structure
Also known as: 5-chloropentanoic acid, 1119-46-6, Pentanoic acid, 5-chloro-, 5-chloro-n-valeric acid, 5-chloro-pentanoic acid, 5-chloro-valeric acid
Molecular Formula
C5H9ClO2
Molecular Weight
136.58  g/mol
InChI Key
YSXDKDWNIPOSMF-UHFFFAOYSA-N
FDA UNII
3PGL46Y9GQ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chloropentanoic acid
2.1.2 InChI
InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
2.1.3 InChI Key
YSXDKDWNIPOSMF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCCl)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
3PGL46Y9GQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5-chloropentanoic Acid

2. 1119-46-6

3. Pentanoic Acid, 5-chloro-

4. 5-chloro-n-valeric Acid

5. 5-chloro-pentanoic Acid

6. 5-chloro-valeric Acid

7. Omega-chlorovaleric Acid

8. Omega-chloropentanoic Acid

9. 5-chlorovalericacid

10. 3pgl46y9gq

11. Mfcd00004415

12. Einecs 214-279-3

13. 5-chloropentanoic Acid #

14. Unii-3pgl46y9gq

15. Schembl192022

16. Chebi:60701

17. Ysxdkdwniposmf-uhfffaoysa-

18. Dtxsid60149767

19. .delta.-chlorovaleric Acid

20. Amy40897

21. Zinc2039893

22. .delta.-chloropentanoic Acid

23. Lmfa01090154

24. .omega.-monochlorovaleric Acid

25. Akos009157283

26. Cs-w022362

27. 5-chlorovaleric Acid, >=98.0% (gc)

28. As-15770

29. Sy051600

30. Ft-0620343

31. W-108663

32. Q27128460

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 136.58 g/mol
Molecular Formula C5H9ClO2
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass136.0291072 g/mol
Monoisotopic Mass136.0291072 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1