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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

Sodium Cacodylate Trihydrate

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 Formula	C₂H₁₂AsNaO₅
Molecular Weight	214.03 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	213.979837 g/mol
Monoisotopic Mass	213.979837 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	65.9
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	5

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Sodium Cacodylate Trihydrate

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