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    Evonik

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    Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

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    xyz-pharma-m-2024-10-07

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    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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    Transo-Pharm GmbH works globally to supply Active Pharmaceutical Ingredients adhering to the highest quality & GMP standards.

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    xyz-pharma-m-2024-10-07

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    PharmaCompass

    Chemistry

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    Also known as: 17345-61-8, 3,4-dihydroxy benzonitrile, 4-cyanocatechol, 4-cyanopyrocatechol, Benzonitrile, 3,4-dihydroxy-, Einecs 241-367-9
    Molecular Formula
    C7H5NO2
    Molecular Weight
    135.12  g/mol
    InChI Key
    NUWHYWYSMAPBHK-UHFFFAOYSA-N
    17345-61-8
    1 2D Structure

    17345-61-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,4-dihydroxybenzonitrile
    2.1.2 InChI
    InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H
    2.1.3 InChI Key
    NUWHYWYSMAPBHK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1C#N)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17345-61-8

    2. 3,4-dihydroxy Benzonitrile

    3. 4-cyanocatechol

    4. 4-cyanopyrocatechol

    5. Benzonitrile, 3,4-dihydroxy-

    6. Einecs 241-367-9

    7. Mfcd00016436

    8. Protocatechuonitrile

    9. Protocatechunitrile

    10. 3,4-dihydroxy-benzonitrile

    11. 3,4 Dihydroxy Benzonitrile

    12. Schembl217250

    13. Dtxsid50169616

    14. 3,4-dihydroxybenzonitrile, 97%

    15. Kuc106679n

    16. Akos000304429

    17. Ac-5998

    18. Cs-w008780

    19. Ps-6276

    20. Ksc-11-207-1

    21. Sy001648

    22. D3352

    23. Ft-0657913

    24. En300-91442

    25. A21164

    26. W-107861

    27. F0001-0630

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 135.12 g/mol
    Molecular Formula C7H5NO2
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area64.2
    Heavy Atom Count10
    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
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