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    Chemistry

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    Also known as: 1378888-43-7, 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one, 1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one, 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone, 1-(3-ethyl-4-hydroxymethylphenyl)ethanone, Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-
    Molecular Formula
    C11H14O2
    Molecular Weight
    178.23  g/mol
    InChI Key
    UAOSVSMWAUFYMM-UHFFFAOYSA-N
    CAS 1378888-43-7
    1 2D Structure

    CAS 1378888-43-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone
    2.1.2 InChI
    InChI=1S/C11H14O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h4-6,12H,3,7H2,1-2H3
    2.1.3 InChI Key
    UAOSVSMWAUFYMM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=C(C=CC(=C1)C(=O)C)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1378888-43-7

    2. 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethan-1-one

    3. 1-(3-ethyl-4-(hydroxymethyl)phenyl)ethan-1-one

    4. 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone

    5. 1-(3-ethyl-4-hydroxymethylphenyl)ethanone

    6. Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-

    7. Schembl1859697

    8. Dtxsid101017138

    9. Mfcd18910891

    10. Zinc66325910

    11. Akos015891172

    12. Sb18110

    13. As-33345

    14. Cs-0064885

    15. 1-(3-ethyl-4-hydroxymethyl-phenyl)-ethanone

    16. A886370

    2.3 Create Date
    2011-05-17
    3 Chemical and Physical Properties
    Molecular Weight 178.23 g/mol
    Molecular Formula C11H14O2
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass178.099379685 g/mol
    Monoisotopic Mass178.099379685 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity177
    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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