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    CAS 114393-97-4

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    CAS 114393-97-4
    Also known as: 114393-97-4, 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde, 4-[2-(5-ethylpyridin-2-yl)ethoxy]benzaldehyde, 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzyaldehyde, 4-[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde, Benzaldehyde, 4-[2-(5-ethyl-2-pyridinyl)ethoxy]-
    Molecular Formula
    C16H17NO2
    Molecular Weight
    255.31  g/mol
    InChI Key
    NTSWGSRJHHXHBB-UHFFFAOYSA-N
    1 2D Structure

    CAS 114393-97-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-(5-ethylpyridin-2-yl)ethoxy]benzaldehyde
    2.1.2 InChI
    InChI=1S/C16H17NO2/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16/h3-8,11-12H,2,9-10H2,1H3
    2.1.3 InChI Key
    NTSWGSRJHHXHBB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 114393-97-4

    2. 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde

    3. 4-[2-(5-ethylpyridin-2-yl)ethoxy]benzaldehyde

    4. 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzyaldehyde

    5. 4-[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde

    6. Benzaldehyde, 4-[2-(5-ethyl-2-pyridinyl)ethoxy]-

    7. Schembl3258559

    8. Dtxsid70432298

    9. Act04257

    10. Akos015899916

    11. 4-[2-(5-ethylpyridyl)ethoxy]benzaldehyde

    12. 4[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde

    13. Cs-0441202

    14. Ft-0668378

    15. Ft-0668379

    16. 4-[2(5-ethyl-2-pyridyl) Ethoxy]benzaldehyde

    17. 4 -[2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde

    18. 4-[ 2-(5-ethyl-2-pyridyl)ethoxy]benzaldehyde

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 255.31 g/mol
    Molecular Formula C16H17NO2
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area39.2
    Heavy Atom Count19
    Formal Charge0
    Complexity262
    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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