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    CAS 376592-93-7

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    CAS 376592-93-7
    Also known as: 376592-93-7, 3'-amino-2'-hydroxybiphenyl-3-carboxylic acid, 3-(3-amino-2-hydroxyphenyl)benzoic acid, 3''-amino-2''-hydroxy-biphenyl-3-carboxylic acid, 3'-amino-2'-hydroxy-biphenyl-3-carboxylic acid, 2gs5685mp9
    Molecular Formula
    C13H11NO3
    Molecular Weight
    229.23  g/mol
    InChI Key
    ZXLYSSHNDUXXIN-UHFFFAOYSA-N
    FDA UNII
    2GS5685MP9
    1 2D Structure

    CAS 376592-93-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(3-amino-2-hydroxyphenyl)benzoic acid
    2.1.2 InChI
    InChI=1S/C13H11NO3/c14-11-6-2-5-10(12(11)15)8-3-1-4-9(7-8)13(16)17/h1-7,15H,14H2,(H,16,17)
    2.1.3 InChI Key
    ZXLYSSHNDUXXIN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    2GS5685MP9
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 376592-93-7

    2. 3'-amino-2'-hydroxybiphenyl-3-carboxylic Acid

    3. 3-(3-amino-2-hydroxyphenyl)benzoic Acid

    4. 3''-amino-2''-hydroxy-biphenyl-3-carboxylic Acid

    5. 3'-amino-2'-hydroxy-biphenyl-3-carboxylic Acid

    6. 2gs5685mp9

    7. Mfcd10001467

    8. 3'-amino-2'-hydroxy-3-biphenylcarboxylic Acid

    9. 3'-amino-2'-hydroxy-[1,1']biphenyl-3-carboxylic Acid

    10. 3'-amino-2'-hydroxy[1,1'-biphenyl]-3-carboxylic Acid

    11. 3'-amino-2'-hydroxy(1,1'-biphenyl)-3-carboxylic Acid

    12. [1,1'-biphenyl]-3-carboxylicacid, 3'-amino-2'-hydroxy-

    13. Schembl407806

    14. Unii-2gs5685mp9

    15. Dtxsid10467509

    16. [1,1'-biphenyl]-3-carboxylic Acid, 3'-amino-2'-hydroxy-

    17. Amy30032

    18. Bcp08246

    19. Cs-b0772

    20. Zinc40433876

    21. Akos015951087

    22. Ds-5044

    23. Ac-24713

    24. Sy053196

    25. Ft-0689791

    26. 3-amino-2-hydroxybiphenyl-3'-carboxylic Acid

    27. 592a937

    28. A874041

    29. 3'-amino-2'-hydroxy-[1,1'-biphenyl]-3-carboxylicacid

    30. 3 Inverted Exclamation Mark -amino-2 Inverted Exclamation Mark -hydroxybiphenyl-3-carboxylic Acid

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 229.23 g/mol
    Molecular Formula C13H11NO3
    XLogP32
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass229.07389321 g/mol
    Monoisotopic Mass229.07389321 g/mol
    Topological Polar Surface Area83.6 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity282
    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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