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Also known as: 110683-22-2, 8-amino-2-(1h-tetrazol-5-yl)-4h-1-benzopyran-4-one, 8-amino-2-(2h-tetrazol-5-yl)chromen-4-one, 8-amino-4-oxo-2-(tetrazol-5-yl)-4h-1-benzopyran, 8-amino-2-(2h-tetrazol-5-yl)-4h-1-benzopyran-4-one, 8-amino-4-oxo-2-(tetrazol-5-yl)benzopyran
Molecular Formula
C10H7N5O2
Molecular Weight
229.19  g/mol
InChI Key
GSZQAIJMONCDFZ-UHFFFAOYSA-N

CAS 110683-22-2
1 2D Structure

CAS 110683-22-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-amino-2-(2H-tetrazol-5-yl)chromen-4-one
2.1.2 InChI
InChI=1S/C10H7N5O2/c11-6-3-1-2-5-7(16)4-8(17-9(5)6)10-12-14-15-13-10/h1-4H,11H2,(H,12,13,14,15)
2.1.3 InChI Key
GSZQAIJMONCDFZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C(=C1)N)OC(=CC2=O)C3=NNN=N3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 110683-22-2

2. 8-amino-2-(1h-tetrazol-5-yl)-4h-1-benzopyran-4-one

3. 8-amino-2-(2h-tetrazol-5-yl)chromen-4-one

4. 8-amino-4-oxo-2-(tetrazol-5-yl)-4h-1-benzopyran

5. 8-amino-2-(2h-tetrazol-5-yl)-4h-1-benzopyran-4-one

6. 8-amino-4-oxo-2-(tetrazol-5-yl)benzopyran

7. 8-amino-2-(tetrazol-5-yl)-1-benzopyran-4-one

8. 8-amino-4-oxo-2-(5-1h-tetrazolyl)-4h-1-benzopyran

9. 3'-hydroxy Stanozolol

10. Schembl3378970

11. Dtxsid90474135

12. Amy13424

13. Bcp16791

14. Mfcd08458726

15. Akos015896549

16. Akos016011261

17. Zinc100049856

18. Ac-1610

19. Ds-15099

20. Db-060022

21. Cs-0155803

22. Ft-0653352

23. Ft-0658686

24. 8-amino-2-(2h-tetrazol-5-yl)-chromen-4-one

25. F13960

26. 683a222

27. A802233

28. 5-(8-amino-4-oxo-4h-1-benzopyran-2-yl)tetrazole

29. J-002464

30. J-519361

31. 5-(8-amino-4-oxo-4h-1-benzopyran-2-yl)-tetrazole

32. 8-amino-2-(1h-tetrazole-5-yl)-gamma-chromene-4-one

33. 8-amino-2-(2h-tetrazol-5-yl)chromen-4-one Hydrochloride

34. 8-amino-2-(2h-1,2,3,4-tetrazol-5-yl)-4h-chromen-4-one

2.3 Create Date
2006-10-28
3 Chemical and Physical Properties
Molecular Weight 229.19 g/mol
Molecular Formula C10H7N5O2
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass229.05997448 g/mol
Monoisotopic Mass229.05997448 g/mol
Topological Polar Surface Area107 Ų
Heavy Atom Count17
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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