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    CAS 55860-35-0 manufacturers and suppliers on PharmaCompass

    Client Email Product

    4-Acetyl-2-methylbenzoic acid

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    PharmaCompass
    4-Acetyl-2-methylbenzoic acid
    Also known as: 55860-35-0, Schembl2012610, 4-acetyl-2-methyl-benzoic acid, Zinc71611028, Db-087369, Cs-0112809
    Molecular Formula
    C10H10O3
    Molecular Weight
    178.18  g/mol
    InChI Key
    QGXDUDDPMXVLOO-UHFFFAOYSA-N
    1 2D Structure

    4-Acetyl-2-methylbenzoic acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-acetyl-2-methylbenzoic acid
    2.1.2 InChI
    InChI=1S/C10H10O3/c1-6-5-8(7(2)11)3-4-9(6)10(12)13/h3-5H,1-2H3,(H,12,13)
    2.1.3 InChI Key
    QGXDUDDPMXVLOO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)C(=O)C)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 55860-35-0

    2. Schembl2012610

    3. 4-acetyl-2-methyl-benzoic Acid

    4. Zinc71611028

    5. Db-087369

    6. Cs-0112809

    7. F53493

    8. A1-08799

    2.3 Create Date
    2011-10-30
    3 Chemical and Physical Properties
    Molecular Weight 178.18 g/mol
    Molecular Formula C10H10O3
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass178.062994177 g/mol
    Monoisotopic Mass178.062994177 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity222
    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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    Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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