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    CAS 700-57-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Adamantan-2-ol, 700-57-2, 2-hydroxyadamantane, Tricyclo[3.3.1.13,7]decan-2-ol, Chembl1269176, Tricyclo[3.3.1.1~3,7~]decan-2-ol
    Molecular Formula
    C10H16O
    Molecular Weight
    152.23  g/mol
    InChI Key
    FOWDOWQYRZXQDP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    adamantan-2-ol
    2.1.2 InChI
    InChI=1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2
    2.1.3 InChI Key
    FOWDOWQYRZXQDP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2CC3CC1CC(C2)C3O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Adamantan-2-ol

    2. 700-57-2

    3. 2-hydroxyadamantane

    4. Tricyclo[3.3.1.13,7]decan-2-ol

    5. Chembl1269176

    6. Tricyclo[3.3.1.1~3,7~]decan-2-ol

    7. Tricyclo(3.3.1.13,7)decan-2-ol

    8. Mfcd00074744

    9. 2alpha-adamantanol

    10. Einecs 211-846-7

    11. 2-adamantanol, 97%

    12. Schembl350390

    13. Schembl13082659

    14. Dtxsid00220266

    15. Hms1787b03

    16. Albb-013875

    17. Zinc1733114

    18. Bdbm50329319

    19. Nsc193480

    20. Stk365644

    21. 2-tricyclo[3.3.1.13,7]decanol

    22. Akos001023938

    23. Akos034830296

    24. 2-tricyclo[3.3.1.13, 7]decanol

    25. Ac-8481

    26. Cs-w000383

    27. Nsc 193480

    28. Nsc-193480

    29. Tricyclo[3.3.1.1(3,7)]decan-2-ol

    30. Tricyclo[3.3.1.1<3,7>]decan-2-ol

    31. Db-020353

    32. A0720

    33. Ft-0610989

    34. F15454

    35. 700a572

    36. A836750

    37. W-104572

    38. Z56757309

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 152.23 g/mol
    Molecular Formula C10H16O
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass152.120115130 g/mol
    Monoisotopic Mass152.120115130 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity148
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1