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    CAS 2374-03-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2374-03-0, 4-amino-3-hydroxy benzoic acid, Benzoic acid, 4-amino-3-hydroxy-, Mfcd00017094, 3-hydroxy-4-aminobenzoic acid, Chembl1462
    Molecular Formula
    C7H7NO3
    Molecular Weight
    153.14  g/mol
    InChI Key
    NFPYJDZQOKCYIE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-3-hydroxybenzoic acid
    2.1.2 InChI
    InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)
    2.1.3 InChI Key
    NFPYJDZQOKCYIE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C(=O)O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2374-03-0

    2. 4-amino-3-hydroxy Benzoic Acid

    3. Benzoic Acid, 4-amino-3-hydroxy-

    4. Mfcd00017094

    5. 3-hydroxy-4-aminobenzoic Acid

    6. Chembl1462

    7. 2hdr

    8. 4-amino-3-hydroxybenzoicacid

    9. 3-hydroxy-p-aminobenzoic Acid

    10. Schembl180385

    11. 3-hydroxy-4-aminobenzoic Acids

    12. 3-hydroxy 4-amino Benzoic Acid

    13. Dtxsid90178409

    14. (4-carboxy-2-hydroxyphenyl)amine

    15. Kuc106686n

    16. Zinc156556

    17. Str04495

    18. Bdbm50324681

    19. Geo-00141

    20. Nsc407243

    21. 4-amino-3-hydroxybenzoic Acid, 97%

    22. Akos005255334

    23. Ac-4479

    24. Cs-w002114

    25. Nsc 407243

    26. Nsc-407243

    27. Ps-4562

    28. Sy018797

    29. Ksc-11-207-17

    30. A1194

    31. Am20060231

    32. Ft-0617496

    33. En300-42793

    34. 374a030

    35. A816876

    36. Q-200427

    37. Q27454543

    38. Z1238477774

    39. 4a3

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 153.14 g/mol
    Molecular Formula C7H7NO3
    XLogP30.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass153.042593085 g/mol
    Monoisotopic Mass153.042593085 g/mol
    Topological Polar Surface Area83.6 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity160
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1