25231-38-3

1 2D Structure

25231-38-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetyloxymethyl acetate

2.1.2 InChI

InChI=1S/C5H8O4/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3

2.1.3 InChI Key

BPGDAMSIGCZZLK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OCOC(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 628-51-3

2. Acetyloxymethyl Acetate

3. Acetic Acid, Methylene Ester

4. (acetyloxy)methyl Acetate

5. Diacetoxymethane

6. Methyl Diacetate

7. Diacetoxy-methane

8. Methylene Diacetate, 99

9. Nsc 57545

10. Brn 1758973

11. Methylendiacetat

12. Ai3-61419

13. Methylene Bis-acetate

14. Wln: 1vo1ov1

15. Methylenediacetate,99

16. 4-02-00-00280 (beilstein Handbook Reference)

17. Schembl322669

18. Dtxsid20865198

19. Zinc409289

20. Nsc57545

21. Mfcd00010751

22. Nsc-57545

23. Akos015901123

24. Cs-w004911

25. Ds-2763

26. Ft-0698100

27. Ft-0698591

28. A24536

29. C16112

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₈O₄
Molecular Weight	132.11 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	132.04225873 g/mol
Monoisotopic Mass	132.04225873 g/mol
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	104
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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