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    Tetrahydrofurfuryl Salicylate

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2217-35-8, Thurfyl salicylate, (tetrahydrofuran-2-yl)methyl 2-hydroxybenzoate, 4kuh7hz54v, Nsc-68484, Oxolan-2-ylmethyl 2-hydroxybenzoate
    Molecular Formula
    C12H14O4
    Molecular Weight
    222.24  g/mol
    InChI Key
    VNDLMXQTZJPTOR-UHFFFAOYSA-N
    FDA UNII
    4KUH7HZ54V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    oxolan-2-ylmethyl 2-hydroxybenzoate
    2.1.2 InChI
    InChI=1S/C12H14O4/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9,13H,3-4,7-8H2
    2.1.3 InChI Key
    VNDLMXQTZJPTOR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(OC1)COC(=O)C2=CC=CC=C2O
    2.2 Other Identifiers
    2.2.1 UNII
    4KUH7HZ54V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2217-35-8

    2. Thurfyl Salicylate

    3. (tetrahydrofuran-2-yl)methyl 2-hydroxybenzoate

    4. 4kuh7hz54v

    5. Nsc-68484

    6. Oxolan-2-ylmethyl 2-hydroxybenzoate

    7. Tetrahydrofuran-2-ylmethyl Salicylate

    8. Unii-4kuh7hz54v

    9. Einecs 218-711-1

    10. Salicylic Acid, Tetrahydrofurfuryl Ester

    11. Schembl1605649

    12. Dtxsid501043224

    13. Nsc68484

    14. Thurfyl Salicylate [who-dd]

    15. Nsc 68484

    16. Tetrahydro-2-furanylmethyl Salicylate

    17. Akos015899692

    18. Ft-0754004

    19. 217t358

    20. A925460

    21. Salicylic Acid [(tetrahydrofuran)-2-yl]methyl Ester

    22. Q27259924

    23. Benzoic Acid, 2-hydroxy-, (tetrahydro-2-furanyl)methyl Ester

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 222.24 g/mol
    Molecular Formula C12H14O4
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass222.08920892 g/mol
    Monoisotopic Mass222.08920892 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1