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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Ammonium salicylate, 528-94-9, Mfcd00040674, Azanium;2-carboxyphenolate, Benzoic acid, 2-hydroxy-, ammonium salt (1:1), 31295-34-8

Molecular Formula

C₇H₉NO₃

Molecular Weight

155.15 g/mol

InChI Key

BOFZOTMTKBQRAB-UHFFFAOYSA-N

1 2D Structure

Ammonium Salicylate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azanium;2-carboxyphenolate

2.1.2 InChI

InChI=1S/C7H6O3.H3N/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3

2.1.3 InChI Key

BOFZOTMTKBQRAB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)O)[O-].[NH4+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Ammonium Salicylate

2. 528-94-9

3. Mfcd00040674

4. Azanium;2-carboxyphenolate

5. Benzoic Acid, 2-hydroxy-, Ammonium Salt (1:1)

6. 31295-34-8

7. Wulpyrin

8. Salicyl-vasogen

9. Ammonium Salicylate [nf]

10. Ammonium 2-hydroxybenzoate

11. 0t3q181657

12. Salicylic Acid, Ammonium Salt

13. Ammoniumsalicylat

14. Salicylic Acid, Monoammonium Salt

15. Unii-0t3q181657

16. Disulphurdecafluoride

17. Einecs 208-444-9

18. Einecs 250-553-9

19. Benzoic Acid, 2-hydroxy-, Ammonium Salt

20. Ai3-36572

21. Schembl25618

22. Dtxsid30883424

23. Ac1613

24. Akos015891284

25. Sy013574

26. Ft-0622344

27. A870878

2.3 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₉NO₃
Molecular Weight	155.15 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	155.058243149 g/mol
Monoisotopic Mass	155.058243149 g/mol
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133
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