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    CAS 70977-72-9

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    CAS 70977-72-9
    Also known as: 70977-72-9, 3'-amino-2'-hydroxyacetophenone, 3-amino-2-hydroxyacetophenone, Ethanone, 1-(3-amino-2-hydroxyphenyl)-, 3-amino-2-hydroxy acetophenone, 1-(3-amino-2-hydroxyphenyl)ethan-1-one
    Molecular Formula
    C8H9NO2
    Molecular Weight
    151.16  g/mol
    InChI Key
    NLLYXOVHEQVWJF-UHFFFAOYSA-N
    1 2D Structure

    CAS 70977-72-9

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

    1. 70977-72-9

    2. 3'-amino-2'-hydroxyacetophenone

    3. 3-amino-2-hydroxyacetophenone

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

    5. 3-amino-2-hydroxy Acetophenone

    6. 1-(3-amino-2-hydroxyphenyl)ethan-1-one

    7. Mfcd03428566

    8. 1-(3-amino-2-hydroxy-phenyl)-ethanone

    9. Schembl3378787

    10. 3-aminoc2-hydroxy Acetophenone

    11. 2'-hydroxy-3'-aminoacetophenone

    12. Amy8741

    13. Dtxsid70332628

    14. Zinc2586023

    15. Akos006278372

    16. Ac-8264

    17. Cs-w019401

    18. Gs-3295

    19. Sb76554

    20. Sy022839

    21. Ft-0648953

    22. A25196

    23. 005a553

    24. J-511541

    25. 3 Inverted Exclamation Mark -amino-2 Inverted Exclamation Mark -hydroxyacetophenone

    2.3 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 151.16 g/mol
    Molecular Formula C8H9NO2
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass151.063328530 g/mol
    Monoisotopic Mass151.063328530 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count11
    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 Count1
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