Please Wait
Applying Filters...
menu
    • menu
    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

    Virtual Booth

    Contact Supplier

    Minakem delivers API, HPAPI, steroids & CDMO services for generics with FDA/GMP certification, regulatory know-how & proven success.

    Virtual Booth

    Contact Supplier

    USP reference standards; highly characterized specimens of drug substances, impurities, excipients, degradation products & more.

    Virtual Booth

    Contact Supplier

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients, & custom-made solutions to our customers.

    Virtual Booth

    Contact Supplier

    Guizhou Utide Biotechnology Co., Ltd. - Specialized GMP manufacturing for next-generation GLP-1 peptide APIs.

    Virtual Booth

    Contact Supplier

    Menu

    CAS 586-89-0

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 586-89-0, Benzoic acid, 4-acetyl-, 4-acetyl-benzoic acid, P-acetylbenzoic acid, Mfcd00002561, 4'-acetophenonecarboxylic acid
    Molecular Formula
    C9H8O3
    Molecular Weight
    164.16  g/mol
    InChI Key
    QBHDSQZASIBAAI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-acetylbenzoic acid
    2.1.2 InChI
    InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)
    2.1.3 InChI Key
    QBHDSQZASIBAAI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=CC=C(C=C1)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 586-89-0

    2. Benzoic Acid, 4-acetyl-

    3. 4-acetyl-benzoic Acid

    4. P-acetylbenzoic Acid

    5. Mfcd00002561

    6. 4'-acetophenonecarboxylic Acid

    7. 4-acetylbenzoicacid

    8. 4-acetylbenzoci Acid

    9. 4-acetyl Benzoic Acid

    10. Acetophenone-4-carboxylic Acid

    11. Nsc16644

    12. 4-acetylbezoic Acid

    13. Einecs 209-588-5

    14. 4-carboxyacetophenone

    15. 4-(acetyl)benzoic Acid

    16. 4-acetylbenzoic Acid, 98%

    17. Schembl211540

    18. Chembl130010

    19. Acetophenone-4'-carboxylic Acid

    20. Dtxsid30207323

    21. Act00376

    22. Zinc1747138

    23. 4-acetophenonecarboxylic Acid

    24. Nsc 16644

    25. Nsc-16644

    26. Akos005207115

    27. Cs-w001939

    28. Gs-3274

    29. Ac-18314

    30. Sy012789

    31. Db-005323

    32. Am20061140

    33. Ft-0600907

    34. En300-31858

    35. A20110

    36. Ae-562/42531783

    37. W-105367

    38. F0001-1531

    39. Z1235963281

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 164.16 g/mol
    Molecular Formula C9H8O3
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass164.047344113 g/mol
    Monoisotopic Mass164.047344113 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    • Privacy policy
    • Terms and conditions
    • Disclaimers
    • LinkedIn
    • Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.