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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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Also known as: 28562-53-0, 4-oxoazetidin-2-yl acetate, (4-oxoazetidin-2-yl) acetate, 2-azetidinone, 4-(acetyloxy)-, 4-acetoxyazetidinone, 4-acetoxyazetidin-2-one

Molecular Formula

C₅H₇NO₃

Molecular Weight

129.11 g/mol

InChI Key

OEYMQQDJCUHKQS-UHFFFAOYSA-N

1 2D Structure

4-Acetoxy-2-Azetidinone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-oxoazetidin-2-yl) acetate

2.1.2 InChI

InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)

2.1.3 InChI Key

OEYMQQDJCUHKQS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OC1CC(=O)N1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 28562-53-0

2. 4-oxoazetidin-2-yl Acetate

3. (4-oxoazetidin-2-yl) Acetate

4. 2-azetidinone, 4-(acetyloxy)-

5. 4-acetoxyazetidinone

6. 4-acetoxyazetidin-2-one

7. 2-oxoazetidinium 4-acetate

8. Einecs 249-083-7

9. 4-acetoxy-azetidinone

10. 4-acetoxyazetidine-2-one

11. 4-acetyloxyazetidin-2-one

12. 4-oxo-2-azetidinyl Acetate #

13. Chembl122408

14. Schembl1220023

15. 4-acetoxy-2-azetidinone, 98%

16. Dtxsid20951247

17. Bbl103570

18. Mfcd00010593

19. Stl557380

20. Akos005254383

21. Ac-8827

22. Cs-w004456

23. Pb20865

24. 4-hydroxy-2,3-dihydroazet-2-yl Acetate

25. As-15645

26. Db-006610

27. Am20090365

28. Ft-0600806

29. 562a530

30. Q-200425

31. Q17122082

32. 4-[(4'-dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Hydrobromide

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₇NO₃
Molecular Weight	129.11 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	129.042593085 g/mol
Monoisotopic Mass	129.042593085 g/mol
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1