CAS 1119-46-6

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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

CAS 1119-46-6

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 Formula	C₅H₉ClO₂
Molecular Weight	136.58 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	136.0291072 g/mol
Monoisotopic Mass	136.0291072 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
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

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