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    Technical details about (1R,2R,5R)-(+)-2-Hydroxy-3-Pinanone, learn more about the structure, uses, toxicity, action, side effects and more

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    (1R,2R,5R)-(+)-2-Hydroxy-3-Pinanone

    PRICE INFORMATION

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 24047-72-1, (1r,2r,5r)-(+)-2-hydroxy-3-pinanone, Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-, (1r,2r,5r)-, (1r,2r,5r)-2-hydroxy-3-pinanone, (+)-(1r,2r,5r)-2-hydroxy-3-pinanone, (+)-2-hydroxy-3-pinanone
    Molecular Formula
    C10H16O2
    Molecular Weight
    168.23  g/mol
    InChI Key
    VZRRCQOUNSHSGB-BRDIYROLSA-N
    FDA UNII
    HY8XY57CHN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2R,5R)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
    2.1.2 InChI
    InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m1/s1
    2.1.3 InChI Key
    VZRRCQOUNSHSGB-BRDIYROLSA-N
    2.1.4 Canonical SMILES
    CC1(C2CC1C(C(=O)C2)(C)O)C
    2.1.5 Isomeric SMILES
    C[C@]1([C@@H]2C[C@@H](C2(C)C)CC1=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    HY8XY57CHN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 24047-72-1

    2. (1r,2r,5r)-(+)-2-hydroxy-3-pinanone

    3. Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-, (1r,2r,5r)-

    4. (1r,2r,5r)-2-hydroxy-3-pinanone

    5. (+)-(1r,2r,5r)-2-hydroxy-3-pinanone

    6. (+)-2-hydroxy-3-pinanone

    7. (+)-2-hydroxypinocamphone

    8. (1r,4r,5r)-4-hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one

    9. Hy8xy57chn

    10. (1r,2r,5r)-hydroxypinanone

    11. Schembl1171547

    12. Zinc389859

    13. Amy14849

    14. Mfcd00191522

    15. Stl570269

    16. Akos015855447

    17. Cs-w017795

    18. As-71340

    19. (+)-2.alpha.-hydroxy-3-pinanone

    20. (1r,2r.5r)-(+)-2-hydroxy-3-pinanone

    21. 2-hydroxypinocamphone, (1r,2r,5r)-(+)-

    22. H0862

    23. Oxypinocamphone, (1r,2r,5r)-(+)-

    24. 2.alpha.-hydroxy-10.beta.-pinan-3-one

    25. 047h721

    26. A878036

    27. (+)-2.alpha.-hydroxy-10.beta.-pinan-3-one

    28. (1r,2r,5r)-(+)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

    29. (1r,2r,5r)-2-hydroxy-2,6,6-trimethyl-bicyclo[3.1.1]heptan-3-one

    30. Bicyclo(3.1.1)heptan-3-one, 2-hydroxy-2,6,6-trimethyl-, (1r-(1.alpha.,2.alpha.,5.alpha.))-

    2.4 Create Date
    2006-05-23
    3 Chemical and Physical Properties
    Molecular Weight 168.23 g/mol
    Molecular Formula C10H16O2
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass168.115029749 g/mol
    Monoisotopic Mass168.115029749 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity244
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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