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    Technical details about CAS 5001-18-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 5001-18-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 5001-18-3, 1,3-dihydroxyadamantane, Adamantane-1,3-diol, Tricyclo[3.3.1.13,7]decane-1,3-diol, Tricyclo[3.3.1.1~3,7~]decane-1,3-diol, Mfcd00154013
    Molecular Formula
    C10H16O2
    Molecular Weight
    168.23  g/mol
    InChI Key
    MOLCWHCSXCKHAP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    adamantane-1,3-diol
    2.1.2 InChI
    InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
    2.1.3 InChI Key
    MOLCWHCSXCKHAP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2CC3(CC1CC(C2)(C3)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5001-18-3

    2. 1,3-dihydroxyadamantane

    3. Adamantane-1,3-diol

    4. Tricyclo[3.3.1.13,7]decane-1,3-diol

    5. Tricyclo[3.3.1.1~3,7~]decane-1,3-diol

    6. Mfcd00154013

    7. 1,3-adamantandiol

    8. 1,3-dihydroxyadamanatane

    9. Adamantan-1,3-diol

    10. 1,3-adamantane Diol

    11. 1,3-adamantane-diol

    12. ?1,3-adamantanediol

    13. 1,3-adamantanediol #

    14. 1, 3-dihydroxyadamantane

    15. Oprea1_509718

    16. Schembl424418

    17. Schembl14791285

    18. Schembl15467155

    19. Schembl15858211

    20. Schembl16361440

    21. Dtxsid30198181

    22. Adamantane-1,2-diol;adamantanediol

    23. Amy11158

    24. Bcp33308

    25. Bbl012286

    26. Stk803145

    27. Akos001483023

    28. Akos016034998

    29. Akos037643343

    30. Cs-w001580

    31. 1,3-adamantanediol;adamantane-1,3-diol

    32. 1,3-adamantanediol, >=99.0% (gc)

    33. As-14625

    34. Ds-13497

    35. Sy030302

    36. En300-121797

    37. O10344

    38. Acyclovir, Antibiotic For Culture Media Use Only

    39. A827931

    40. Sr-01000396850

    41. Q-200592

    42. Sr-01000396850-1

    43. Z1509059210

    2.2.2 Other Synonyms

    1. 1, 3-dihydroxyadamantane

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 168.23 g/mol
    Molecular Formula C10H16O2
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area40.5
    Heavy Atom Count12
    Formal Charge0
    Complexity190
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1