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Technical details about Acetone Sodium Bisulfite, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 540-92-1, 2-hydroxy-2-propanesulfonic acid monosodium salt, Sodium 2-hydroxypropane-2-sulphonate, Sodium acetone bisulfite, 2-propanesulfonic acid, 2-hydroxy-, monosodium salt, Sodium;2-hydroxypropane-2-sulfonate
Molecular Formula
C3H7NaO4S
Molecular Weight
162.14  g/mol
InChI Key
YNJORDSKPXMABC-UHFFFAOYSA-M
FDA UNII
47VY054OXY

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-hydroxypropane-2-sulfonate
2.1.2 InChI
InChI=1S/C3H8O4S.Na/c1-3(2,4)8(5,6)7;/h4H,1-2H3,(H,5,6,7);/q;+1/p-1
2.1.3 InChI Key
YNJORDSKPXMABC-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(C)(O)S(=O)(=O)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
47VY054OXY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 540-92-1

2. 2-hydroxy-2-propanesulfonic Acid Monosodium Salt

3. Sodium 2-hydroxypropane-2-sulphonate

4. Sodium Acetone Bisulfite

5. 2-propanesulfonic Acid, 2-hydroxy-, Monosodium Salt

6. Sodium;2-hydroxypropane-2-sulfonate

7. Acetone-sodium Bisulfite Adduct

8. Sodium Bisulfite-acetone Adduct

9. Sodium 1-hydroxy-1-methylethanesulfonate

10. Acetone-monosodium Sulfite Adduct

11. Sodium 2-hydroxypropane-2-sulfonate

12. 47vy054oxy

13. 2-hydroxy-2-propanesulfonic Acid Sodium Salt

14. Acetone, Compound With Sodium Bisulfite (1:1)

15. Sodium 2-hydroxy-2-propane-sulfonate

16. 2-propanone, Compd. With Monosodium Sulfite (1:1)

17. Acetone-sodium Bisulfite Compound (1:1)

18. 2-propanesulfonic Acid, 2-hydroxy-, Sodium Salt (1:1)

19. Nsc-26211

20. Einecs 208-761-2

21. Nsc 26211

22. Unii-47vy054oxy

23. Mfcd00031395

24. Acetone Sodium Bisulphite

25. Schembl12983281

26. Dtxsid00883431

27. Acetone Sodium Bisulfite [ii]

28. Acetone Sodium Bisulfite [mi]

29. Akos001015460

30. Akos003399749

31. Akos015903409

32. Acetone Sodium Bisulfite [vandf]

33. As-58312

34. Cs-0207095

35. 2-propanesulfonic Acid, 2-hydroxy-,sodium Salt

36. Q27259077

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 162.14 g/mol
Molecular Formula C3H7NaO4S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass161.99627416 g/mol
Monoisotopic Mass161.99627416 g/mol
Topological Polar Surface Area85.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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