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    CAS 90005-55-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 90005-55-3, 3-amino-2-hydroxyacetophenone hydrochloride, 3'-amino-2'-hydroxyacetophenone, hcl, Ethanone, 1-(3-amino-2-hydroxyphenyl)-, hydrochloride, 1-(3-amino-2-hydroxyphenyl)ethanone;hydrochloride, 3'-amino-2'-hydroxyacetophenone hcl
    Molecular Formula
    C8H10ClNO2
    Molecular Weight
    187.62  g/mol
    InChI Key
    BSWMUKIPTBQFPN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3-amino-2-hydroxyphenyl)ethanone;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H9NO2.ClH/c1-5(10)6-3-2-4-7(9)8(6)11;/h2-4,11H,9H2,1H3;1H
    2.1.3 InChI Key
    BSWMUKIPTBQFPN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=C(C(=CC=C1)N)O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 90005-55-3

    2. 3-amino-2-hydroxyacetophenone Hydrochloride

    3. 3'-amino-2'-hydroxyacetophenone, Hcl

    4. Ethanone, 1-(3-amino-2-hydroxyphenyl)-, Hydrochloride

    5. 1-(3-amino-2-hydroxyphenyl)ethanone;hydrochloride

    6. 3'-amino-2'-hydroxyacetophenone Hcl

    7. 3-amino-2-hydroxyacetophenone Hcl

    8. 1-(3-amino-2-hydroxyphenyl)ethanone Hydrochloride

    9. 1-(3-amino-2-hydroxy-phenyl)-ethanone Hydrochloride

    10. Schembl6950003

    11. Dtxsid10332627

    12. Bcp10837

    13. Ethanone, 1-(3-amino-2-hydroxyphenyl)-, Hydrochloride (1:1)

    14. Mfcd03790987

    15. Akos015951165

    16. 1-(3-amino-2-hydroxy-phenyl)ethanone

    17. Ac-6722

    18. 3-amino-2-hydroxyacetophenonehydrochloride

    19. Db-023145

    20. 3'-amino-2'-hydroxyacetophenonehydrochloride

    21. 3-amino-2-hydroxyacetophenone, Hydrochloride

    22. Am20080675

    23. Cs-0155147

    24. Ft-0642154

    25. 3\'-amino-2\'-hydroxyacetophenone Hydrochloride

    26. 790a987

    27. Q-200357

    28. 1-(3-amino-2-hydroxyphenyl)ethan-1-one Hydrochloride

    29. 3'-amino-2'-hydroxyacetophenone Hydrochloride, Aldrichcpr

    30. 1-(3-amino-2-hydroxyphenyl)ethan-1-one--hydrogen Chloride (1/1)

    2.3 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 187.62 g/mol
    Molecular Formula C8H10ClNO2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass187.0400063 g/mol
    Monoisotopic Mass187.0400063 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity158
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2