1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C6H9BO6.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h1-3H3;/q-1;+1

2.1.2 InChI Key

AGGHKNBCHLWKHY-UHFFFAOYSA-N

2.1.3 Canonical SMILES

[B-](OC(=O)C)(OC(=O)C)OC(=O)C.[Na+]

2.2 Other Identifiers

2.2.1 UNII

4VU0JE4YSK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 56553-60-7

2. Sodium Bis(acetyloxy)boranuidyl Acetate

3. Borate(1-), Tris(acetato-kappao)hydro-, Sodium, (t-4)-

4. Sodium Triacetoxyboron(1-)

5. Mfcd00012211

6. Sodium Triacetoborohydride

7. Sodium Triacetatohydroborate

8. Sodium Triacetoxy Borohyride

9. Schembl1527

10. Sodium;triacetyloxyboron(1-)

11. Sodium Triacetoxy(hydro)borate

12. Agghknbchlwkhy-uhfffaoysa-n

13. Amy31059

14. Str03711

15. Akos009158577

16. Akos037517255

17. Sodium Triacetoxyborohydride [mi]

18. S0394

19. En300-39023

20. A831093

21. J-802289

22. Borate(1-), Tris(acetato-o)hydro-, Sodium, (t-4)-

23. Borate(1-), Tris(acetato-.kappa.o)hydro-, Sodium (1:1), (t-4)-

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₉BNaO₆
Molecular Weight	210.94 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	78.9
Heavy Atom Count	14
Formal Charge	0
Complexity	192
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	2

56553-60-7

56553-60-7

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