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Technical details about sodium oxidooxy(oxo)borane hydrate, learn more about the structure, uses, toxicity, action, side effects and more

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$ API Ref.Price (USD/KG) : 722Xls
2D Structure
Also known as: Perboric acid, sodium salt, monohydrate, Sodium;oxidooxy(oxo)borane;hydrate, Y9ukd0xe6f, Sodium perborate monohydrate [usan], Sodium perborate monohydrate (usan), Caswell no. 784a
Molecular Formula
BH2NaO4
Molecular Weight
99.82  g/mol
InChI Key
MDGXUEVTGARGDK-UHFFFAOYSA-M
FDA UNII
Y9UKD0XE6F

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;oxidooxy(oxo)borane;hydrate
2.1.2 InChI
InChI=1S/BHO3.Na.H2O/c2-1-4-3;;/h3H;;1H2/q;+1;/p-1
2.1.3 InChI Key
MDGXUEVTGARGDK-UHFFFAOYSA-M
2.1.4 Canonical SMILES
B(=O)O[O-].O.[Na+]
2.2 Other Identifiers
2.2.1 UNII
Y9UKD0XE6F
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Perboric Acid, Sodium Salt, Monohydrate

2. Sodium;oxidooxy(oxo)borane;hydrate

3. Y9ukd0xe6f

4. Sodium Perborate Monohydrate [usan]

5. Sodium Perborate Monohydrate (usan)

6. Caswell No. 784a

7. Sodium Borate, Monohydrate

8. Epa Pesticide Chemical Code 011105

9. Sodium Perborate Hydrate

10. Unii-y9ukd0xe6f

11. Sodium Borate Monohydrate

12. Dtxsid9035676

13. Mfcd00149230

14. Ft-0696526

15. Sodium Perborate Monohydrate [mart.]

16. Sodium Perborate Monohydrate [who-dd]

17. D07066

18. Perboric Acid (hbo(o2)), Sodium Salt, Monohydrate

19. Q18212089

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 99.82 g/mol
Molecular Formula BH2NaO4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass99.9943830 g/mol
Monoisotopic Mass99.9943830 g/mol
Topological Polar Surface Area50.4 Ų
Heavy Atom Count6
Formal Charge0
Complexity20.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3