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    Chemistry

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    Also known as: 6131-90-4, Acetic acid, sodium salt, trihydrate, Sodium;acetate;trihydrate, Mfcd00071557, Thomaegelin, Acetic acid sodium salt trihydrate
    Molecular Formula
    C2H9NaO5
    Molecular Weight
    136.08  g/mol
    InChI Key
    AYRVGWHSXIMRAB-UHFFFAOYSA-M
    FDA UNII
    4550K0SC9B
    Sodium Acetate Trihydrate
    The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.
    1 2D Structure

    Sodium Acetate Trihydrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;acetate;trihydrate
    2.1.2 InChI
    InChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1
    2.1.3 InChI Key
    AYRVGWHSXIMRAB-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC(=O)[O-].O.O.O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    4550K0SC9B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sodium Acetate

    2. Sodium Acetate, Anhydrous

    2.3.2 Depositor-Supplied Synonyms

    1. 6131-90-4

    2. Acetic Acid, Sodium Salt, Trihydrate

    3. Sodium;acetate;trihydrate

    4. Mfcd00071557

    5. Thomaegelin

    6. Acetic Acid Sodium Salt Trihydrate

    7. 4550k0sc9b

    8. Plasmafusin

    9. Tutofusin

    10. Natrium Acetate-3-wasser

    11. Sodium Acetate [usp:jan]

    12. Unii-4550k0sc9b

    13. Sodium Acetate (tn)

    14. Sodium Acetatetrihydrate

    15. Sodium Acetate (usp)

    16. Acona.3h2o

    17. Natriumacetate Trihydrate

    18. Sodium Acetate-trihydrate

    19. Sodium Acetate. Trihydrate

    20. Ch3co2na.3h2o

    21. Sodium Acetate [ii]

    22. Sodium Acetate [fcc]

    23. Sodium Acetate [inci]

    24. Sodium Acetate [vandf]

    25. Sodium Acetate--water (1/3)

    26. Dtxsid2073986

    27. Sodium Acetate [usp-rs]

    28. Sodium Acetate Hydrate (jp17)

    29. Chebi:32138

    30. Sodium Acetate, Trihydrate

    31. Sodium Acetate [orange Book]

    32. Sodium Acetate Hydrate [jan]

    33. Sodium Acetate Trihydrate Acs Reagent

    34. Akos015904397

    35. Sodium Acetate [usp Monograph]

    36. Sodium Acetate Trihydrate [mi]

    37. Sodium Acetate Trihydrate [usp-rs]

    38. Sodium Acetate Trihydrate [who-dd]

    39. Ft-0645115

    40. D01779

    41. Sodium Acetate Trihydrate [ep Monograph]

    42. Sodium Acetate Trihydrate Acs Grade With Id Tests

    43. Acetic Acid, Sodium Salt, Hydrate (1:1:3)

    44. Q27114798

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 136.08 g/mol
    Molecular Formula C2H9NaO5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass136.03476767 g/mol
    Monoisotopic Mass136.03476767 g/mol
    Topological Polar Surface Area43.1 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity34.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5

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