Sodium Perborate Monohydrate

Synopsis, Chemistry

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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

Sodium Perborate Monohydrate

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 Formula	BH₂NaO₄
Molecular Weight	99.82 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	99.9943830 g/mol
Monoisotopic Mass	99.9943830 g/mol
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	20.9
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	3