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    CAS 110683-22-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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
    1 2D Structure

    2D Structure

    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