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2D Structure
Also known as: 6131-99-3, Cacodylic acid sodium salt trihydrate, Sodium;dimethylarsinate;trihydrate, R7a6nc7ygy, Cacodylic acid sodium trihydrate, Mfcd00149079
Molecular Formula
C2H12AsNaO5
Molecular Weight
214.03  g/mol
InChI Key
RLGWPHBPRCROJO-UHFFFAOYSA-M
FDA UNII
R7A6NC7YGY

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;dimethylarsinate;trihydrate
2.1.2 InChI
InChI=1S/C2H7AsO2.Na.3H2O/c1-3(2,4)5;;;;/h1-2H3,(H,4,5);;3*1H2/q;+1;;;/p-1
2.1.3 InChI Key
RLGWPHBPRCROJO-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C[As](=O)(C)[O-].O.O.O.[Na+]
2.2 Other Identifiers
2.2.1 UNII
R7A6NC7YGY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6131-99-3

2. Cacodylic Acid Sodium Salt Trihydrate

3. Sodium;dimethylarsinate;trihydrate

4. R7a6nc7ygy

5. Cacodylic Acid Sodium Trihydrate

6. Mfcd00149079

7. Arsine Oxide, Hydroxydimethyl-, Sodium Salt, Trihydrate

8. Unii-r7a6nc7ygy

9. Sodium Dimethylarsinate Trihydrate

10. Sodium Dimethylarsinic Acid Trihydrate

11. Cacodylic Acid, Sodium Salt Trihydrate

12. Dimethylarsinic Acid Sodium Salt Trihydrate

13. Sodium Cacodylate Hydrate

14. Cacodylic Acid,sodium Salt

15. Arsinic Acid, Dimethyl-, Sodium Salt, Trihydrate

16. Hydroxydimethylarsine Oxide Sodium Salt Trihydrate

17. Sodium Dimethylarsinate Hydrate

18. Dtxsid701319372

19. Mfcd00002096

20. Sodium Cacodylate Trihydrate, >=98%

21. Akos005111030

22. Sodium Cacodylate Trihydrate [mi]

23. Sodium Cacodylate Trihydrate, >=98.0%

24. Ft-0623361

25. Sodium Cacodylate Trihydrate, Puriss., 98%

26. Sodium Cacodylate Trihydrate, Bioxtra, >=98%

27. Sodium Cacodylate, 0.1m Buffer Solution, Ph 6.5

28. Sodium Cacodylate, 0.1m Buffer Solution, Ph 6.8

29. Sodium Cacodylate, 0.1m Buffer Solution, Ph 7.0

30. Q27287883

31. Sodium Cacodylate Trihydrate, Purum P.a., >=98.0% (t)

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 214.03 g/mol
Molecular Formula C2H12AsNaO5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass213.979837 g/mol
Monoisotopic Mass213.979837 g/mol
Topological Polar Surface Area43.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5