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Also known as: 2224-52-4, (s)-4-methyl-2,5-oxazolidinedione, (4s)-4-methyl-1,3-oxazolidine-2,5-dione, (4s)-4-methyloxazolidine-2,5-dione, N-carboxyalanine anhydride, Mfcd03411276
Molecular Formula
C4H5NO3
Molecular Weight
115.09  g/mol
InChI Key
DTETYCNJKAUROO-REOHCLBHSA-N

CAS 2224-52-4
1 2D Structure

CAS 2224-52-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-4-methyl-1,3-oxazolidine-2,5-dione
2.1.2 InChI
InChI=1S/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)/t2-/m0/s1
2.1.3 InChI Key
DTETYCNJKAUROO-REOHCLBHSA-N
2.1.4 Canonical SMILES
CC1C(=O)OC(=O)N1
2.1.5 Isomeric SMILES
C[C@H]1C(=O)OC(=O)N1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2224-52-4

2. (s)-4-methyl-2,5-oxazolidinedione

3. (4s)-4-methyl-1,3-oxazolidine-2,5-dione

4. (4s)-4-methyloxazolidine-2,5-dione

5. N-carboxyalanine Anhydride

6. Mfcd03411276

7. 2,5-oxazolidinedione, 4-methyl-, (s)-

8. Einecs 218-750-4

9. Schembl6230697

10. Dtxsid70176781

11. Dtetycnjkauroo-reohclbhsa-n

12. (4s)-4-methyl-2,5-oxazolidinedione

13. (s)-4-methyl-2, 5-oxazolidinedione

14. Akos006276101

15. Am84795

16. Ds-4192

17. Cs-0158166

18. A851146

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 115.09 g/mol
Molecular Formula C4H5NO3
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area55.4
Heavy Atom Count8
Formal Charge0
Complexity142
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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