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    3-Acetyl-2-Iodylbenzoic Acid manufacturers and suppliers on PharmaCompass

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    3-Acetyl-2-Iodylbenzoic Acid

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    3-Acetyl-2-Iodylbenzoic Acid
    Also known as: Schembl8464336
    Molecular Formula
    C9H7IO5
    Molecular Weight
    322.05  g/mol
    InChI Key
    UOCWTEDNAPOFAL-UHFFFAOYSA-N
    1 2D Structure

    3-Acetyl-2-Iodylbenzoic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-acetyl-2-iodylbenzoic acid
    2.1.2 InChI
    InChI=1S/C9H7IO5/c1-5(11)6-3-2-4-7(9(12)13)8(6)10(14)15/h2-4H,1H3,(H,12,13)
    2.1.3 InChI Key
    UOCWTEDNAPOFAL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1=C(C(=CC=C1)C(=O)O)I(=O)=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl8464336

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 322.05 g/mol
    Molecular Formula C9H7IO5
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass321.93382 g/mol
    Monoisotopic Mass321.93382 g/mol
    Topological Polar Surface Area88.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity333
    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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