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    Technical details about CAS 2224-00-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 2224-00-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 2224-00-2, 2-ethoxynaphthalene-1-carboxylic acid, 2-ethoxynaphthoic acid, 1-naphthalenecarboxylic acid, 2-ethoxy-, Timtec-bb sbb005771, Mfcd00004008
    Molecular Formula
    C13H12O3
    Molecular Weight
    216.23  g/mol
    InChI Key
    MYFBSSDLYGWAHH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-ethoxynaphthalene-1-carboxylic acid
    2.1.2 InChI
    InChI=1S/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
    2.1.3 InChI Key
    MYFBSSDLYGWAHH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=C(C2=CC=CC=C2C=C1)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2224-00-2

    2. 2-ethoxynaphthalene-1-carboxylic Acid

    3. 2-ethoxynaphthoic Acid

    4. 1-naphthalenecarboxylic Acid, 2-ethoxy-

    5. Timtec-bb Sbb005771

    6. Mfcd00004008

    7. 2-ethoxynaphtoic Acid, 98%

    8. Einecs 218-745-7

    9. 2-ethyloxy-1-naphthalenecarboxylic Acid

    10. Schembl503962

    11. Dtxsid9062277

    12. Zinc405276

    13. 2-ethoxy-1-naphthoic Acid, 97%

    14. Amy40300

    15. Bbl035839

    16. Stl432188

    17. Akos009156547

    18. 2-ethoxy-naphthalene-1-carboxylic Acid

    19. Ts-03085

    20. 4-trifluoromethyl-n-methylaniline97

    21. Db-045851

    22. E0486

    23. Ft-0612196

    24. F20366

    25. A816040

    26. F2191-0038

    27. 1-{(1s,2r)-1-[(11br)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1,2-f][1,3,2]dioxaphosphepin-4-yloxy]-1-phenylpropan-2-yl}-3-phenylurea, Min. 97%

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 216.23 g/mol
    Molecular Formula C13H12O3
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass216.078644241 g/mol
    Monoisotopic Mass216.078644241 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity252
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1