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    CAS 17178-11-9

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    CAS 17178-11-9
    Also known as: 17178-11-9, 2-ethoxyethyl p-toluenesulfonate, P-toluenesulfonic-acid-(2-ethoxyethyl)-ester, 2-ethoxyethylp-toluenesulfonate, Schembl244712, Dtxsid10399598
    Molecular Formula
    C11H16O4S
    Molecular Weight
    244.31  g/mol
    InChI Key
    HXXNTEDKEYTYPD-UHFFFAOYSA-N
    1 2D Structure

    CAS 17178-11-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-ethoxyethyl 4-methylbenzenesulfonate
    2.1.2 InChI
    InChI=1S/C11H16O4S/c1-3-14-8-9-15-16(12,13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
    2.1.3 InChI Key
    HXXNTEDKEYTYPD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOCCOS(=O)(=O)C1=CC=C(C=C1)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17178-11-9

    2. 2-ethoxyethyl P-toluenesulfonate

    3. P-toluenesulfonic-acid-(2-ethoxyethyl)-ester

    4. 2-ethoxyethylp-toluenesulfonate

    5. Schembl244712

    6. Dtxsid10399598

    7. (2-ethoxy)ethyl P-toluenesulphonate

    8. Zinc2170903

    9. 2-ethoxyethyl4-methylbenzenesulfonate

    10. Akos005111037

    11. 2-ethoxyethyl 4-methylbenzene-1-sulfonate

    12. P-toluenesulfonic Acid 2-ethoxyethyl Ester

    13. Bb 0254645

    14. Cs-0257595

    2.3 Create Date
    2005-09-13
    3 Chemical and Physical Properties
    Molecular Weight 244.31 g/mol
    Molecular Formula C11H16O4S
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass244.07693016 g/mol
    Monoisotopic Mass244.07693016 g/mol
    Topological Polar Surface Area61 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity273
    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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