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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 142-03-0, Aluminum acetate, basic, Diacetoxy(hydroxy)aluminum, Aluminum acetate basic, Aluminum diacetate, Aluminum hydroxide acetate (1:1:2)

Molecular Formula

C₄H₈AlO₅

Molecular Weight

163.08 g/mol

InChI Key

RHPIJWYTYJJCFU-UHFFFAOYSA-L

1 2D Structure

Aluminum Acetate, Basic

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2

2.1.2 InChI Key

RHPIJWYTYJJCFU-UHFFFAOYSA-L

2.1.3 Canonical SMILES

CC(=O)O[Al]OC(=O)C.O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 142-03-0

2. Aluminum Acetate, Basic

3. Diacetoxy(hydroxy)aluminum

4. Aluminum Acetate Basic

5. Aluminum Diacetate

6. Aluminum Hydroxide Acetate (1:1:2)

7. Ncgc00166059-01

8. Aluminum Subacetate (usp)

9. Aluminum Subacetate [usp]

10. Dsstox_cid_24552

11. Dsstox_rid_80309

12. Dsstox_gsid_44552

13. Cas-142-03-0

14. Hydrosal

15. Bis(acetato-o)hydroxyaluminium

16. Aluminum Diaceate

17. Hydroxyoaluminium Diacetat

18. Basisches Aluminium-acetat

19. Aluminium Acetate (basic)

20. Aluminum Subaceatate Solution

21. Unii-fgl8577c9s

22. Bis(acetato-o)hydroxyaluminum

23. Aluminum Acetate, Basic Hydrate

24. Schembl2779509

25. Chembl1532734

26. Dtxsid7044552

27. Einecs 205-518-2

28. Tox21_112300

29. Tox21_301868

30. Mfcd00166990

31. Akos015904061

32. Aluminum, Bis(acetato-kappao)hydroxy-

33. Ncgc00166059-02

34. Ncgc00255820-01

35. D02866

36. D70070

37. Aluminum Acetate, Basic, Vetec(tm) Reagent Grade

38. Sr-01000944747

39. Sr-01000944747-1

2.3 Create Date

2007-08-23

3 Chemical and Physical Properties

Molecular Formula	C₄H₈AlO₅
Molecular Weight	163.08 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	163.0187118 g/mol
Monoisotopic Mass	163.0187118 g/mol
Topological Polar Surface Area	53.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	109
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

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Aluminum Diacetate

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