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    BUILDING BLOCK

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    Chemistry

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    Also known as: 169506-15-4, 2-(2-ethyloxyphenoxy)ethyl methanesulfonate, Starbld0017804, Schembl2345631, Zinc34525472, 2-(2-ethoxyphenoxy)ethyl methansulfonate
    Molecular Formula
    C11H16O5S
    Molecular Weight
    260.31  g/mol
    InChI Key
    FKLQNFXTDRYXEV-UHFFFAOYSA-N
    CAS 169506-15-4
    1 2D Structure

    CAS 169506-15-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-ethoxyphenoxy)ethyl methanesulfonate
    2.1.2 InChI
    InChI=1S/C11H16O5S/c1-3-14-10-6-4-5-7-11(10)15-8-9-16-17(2,12)13/h4-7H,3,8-9H2,1-2H3
    2.1.3 InChI Key
    FKLQNFXTDRYXEV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=CC=C1OCCOS(=O)(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 169506-15-4

    2. 2-(2-ethyloxyphenoxy)ethyl Methanesulfonate

    3. Starbld0017804

    4. Schembl2345631

    5. Zinc34525472

    6. 2-(2-ethoxyphenoxy)ethyl Methansulfonate

    7. Ft-0700769

    8. Ethanol, 2-(2-ethoxyphenoxy)-, Methanesulfonate

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 260.31 g/mol
    Molecular Formula C11H16O5S
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass260.07184478 g/mol
    Monoisotopic Mass260.07184478 g/mol
    Topological Polar Surface Area70.2 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity296
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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