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    Technical details about Octyl-Salicylate, learn more about the structure, uses, toxicity, action, side effects and more

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    Octyl-Salicylate

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Akos015995398
    Molecular Formula
    C15H21O3-
    Molecular Weight
    249.32  g/mol
    InChI Key
    VSDNNWKISVRDNT-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-octoxybenzoate
    2.1.2 InChI
    InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3,(H,16,17)/p-1
    2.1.3 InChI Key
    VSDNNWKISVRDNT-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCCCCCCCOC1=CC=CC=C1C(=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Akos015995398

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 249.32 g/mol
    Molecular Formula C15H21O3-
    XLogP35.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass249.14906953 g/mol
    Monoisotopic Mass249.14906953 g/mol
    Topological Polar Surface Area49.4 Ų
    Heavy Atom Count18
    Formal Charge-1
    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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