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    Technical details about 1-Adamantaneacetic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    1-Adamantaneacetic Acid

    PRICE INFORMATION

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 4942-47-6, 2-(adamantan-1-yl)acetic acid, 1-adamantane acetic acid, 2-(1-adamantyl)acetic acid, 1-adamantylacetic acid, Tricyclo[3.3.1.13,7]dec-1-ylacetic acid
    Molecular Formula
    C12H18O2
    Molecular Weight
    194.27  g/mol
    InChI Key
    AOTQGWFNFTVXNQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(1-adamantyl)acetic acid
    2.1.2 InChI
    InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)
    2.1.3 InChI Key
    AOTQGWFNFTVXNQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2CC3CC1CC(C2)(C3)CC(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Aaa Compound

    2.2.2 Depositor-Supplied Synonyms

    1. 4942-47-6

    2. 2-(adamantan-1-yl)acetic Acid

    3. 1-adamantane Acetic Acid

    4. 2-(1-adamantyl)acetic Acid

    5. 1-adamantylacetic Acid

    6. Tricyclo[3.3.1.13,7]dec-1-ylacetic Acid

    7. Mfcd00074728

    8. Adamantan-1-yl-acetic Acid

    9. Tricyclo(3.3.1.13,7)dec-1-ylacetic Acid

    10. Tricyclo[3.3.1.13,7]decane-1-acetic Acid

    11. Adamantan-1-ylacetic Acid

    12. Tricyclo[3.3.1.1(3,7)-]decane-1-acetic Acid

    13. 1-carboxymethyladamantane

    14. Tricyclo[3.3.1.1~3,7~]dec-1-ylacetic Acid

    15. 1-(carboxymethyl)adamantane

    16. 1-adamantaneacetate

    17. Einecs 225-585-1

    18. Adamantyl Acetic Acid

    19. 1-adamantyl Acetic Acid

    20. 1-adamantyl-acetic Acid

    21. Adamantaneacetate (aac)

    22. Adamantane-1-acetic Acid

    23. Maybridge1_002200

    24. (adamantan-1-yl)acetic Acid

    25. Oprea1_744522

    26. Schembl306081

    27. 2-(adamant-1-yl)acetic Acid

    28. 1-adamantaneacetic Acid, 98%

    29. Alpha-(1-adamantyl)acetic Acid

    30. Chembl445874

    31. Schembl22604760

    32. Alpha-(1-adamantyl)-acetic Acid

    33. Bdbm36210

    34. Hms547l22

    35. Dtxsid90197791

    36. Zinc107420

    37. Albb-000785

    38. Bbl010350

    39. Geo-00049

    40. Nsc310162

    41. Stk385038

    42. Akos000264925

    43. Akos016015543

    44. Cs-w001578

    45. Nsc 310162

    46. Nsc-310162

    47. As-11645

    48. As-47688

    49. Sy012758

    50. A0736

    51. Ft-0607298

    52. F15428

    53. 942a476

    54. A905516

    55. W-106023

    56. F1928-0005

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 194.27 g/mol
    Molecular Formula C12H18O2
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass194.130679813 g/mol
    Monoisotopic Mass194.130679813 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity228
    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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