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    CAS 38862-65-6 manufacturers and suppliers on PharmaCompass

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    Ethyl Olivetolate

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    PharmaCompass
    Ethyl Olivetolate
    Also known as: 38862-65-6, Ethyl olivetolate, Benzoic acid, 2,4-dihydroxy-6-pentyl-, ethyl ester, Jlk7qtk6y2, Unii-jlk7qtk6y2, Schembl8750720
    Molecular Formula
    C14H20O4
    Molecular Weight
    252.31  g/mol
    InChI Key
    ALCUWNWVZNZFHQ-UHFFFAOYSA-N
    FDA UNII
    JLK7QTK6Y2
    1 2D Structure

    Ethyl Olivetolate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2,4-dihydroxy-6-pentylbenzoate
    2.1.2 InChI
    InChI=1S/C14H20O4/c1-3-5-6-7-10-8-11(15)9-12(16)13(10)14(17)18-4-2/h8-9,15-16H,3-7H2,1-2H3
    2.1.3 InChI Key
    ALCUWNWVZNZFHQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCC1=C(C(=CC(=C1)O)O)C(=O)OCC
    2.2 Other Identifiers
    2.2.1 UNII
    JLK7QTK6Y2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 38862-65-6

    2. Ethyl Olivetolate

    3. Benzoic Acid, 2,4-dihydroxy-6-pentyl-, Ethyl Ester

    4. Jlk7qtk6y2

    5. Unii-jlk7qtk6y2

    6. Schembl8750720

    7. Dtxsid70499528

    8. Ethyl2,4-dihydroxy-6-pentylbenzoate

    9. Mfcd11618127

    10. Zinc13339596

    11. Ethyl 2,4-dihydroxy-6-n-pentylbenzoate

    12. As-47679

    13. Cs-0152317

    14. Ft-0651431

    15. Beta-resorcylic Acid, 6-pentyl-, Ethyl Ester

    16. F15230

    17. 2,4-dihydroxy-6-pentyl-benzoic Acid Ethyl Ester

    18. A935028

    19. .beta.-resorcylic Acid, 6-pentyl-, Ethyl Ester

    2.4 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 252.31 g/mol
    Molecular Formula C14H20O4
    XLogP34.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass252.13615911 g/mol
    Monoisotopic Mass252.13615911 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity254
    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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