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    Technical details about 10,10-Dimethylanthrone-[d6], learn more about the structure, uses, toxicity, action, side effects and more

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    10,10-Dimethylanthrone-[d6]

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5447-86-9, 10,10-dimethylanthrone, 10,10-dimethylanthracen-9-one, 10,10-dimethylanthracen-9(10h)-one, 9(10h)-anthracenone, 10,10-dimethyl-, Mls002638559
    Molecular Formula
    C16H14O
    Molecular Weight
    222.28  g/mol
    InChI Key
    GWFCYDIAPRIMLA-UHFFFAOYSA-N
    FDA UNII
    E3A9WP7V4R
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    10,10-dimethylanthracen-9-one
    2.1.2 InChI
    InChI=1S/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3
    2.1.3 InChI Key
    GWFCYDIAPRIMLA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)C
    2.2 Other Identifiers
    2.2.1 UNII
    E3A9WP7V4R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 10,10-dimethylanthrone

    2.3.2 Depositor-Supplied Synonyms

    1. 5447-86-9

    2. 10,10-dimethylanthrone

    3. 10,10-dimethylanthracen-9-one

    4. 10,10-dimethylanthracen-9(10h)-one

    5. 9(10h)-anthracenone, 10,10-dimethyl-

    6. Mls002638559

    7. 10,10-dimethyl-10h-anthracen-9-one

    8. E3a9wp7v4r

    9. Nsc-17539

    10. Smr001548032

    11. 10,10-dimethyl-9(10h)-anthracenone

    12. Nsc17539

    13. Einecs 226-666-4

    14. Unii-e3a9wp7v4r

    15. Cid_79529

    16. 10,10-dimethyl-9-anthrone

    17. Schembl1855552

    18. 10,10-dimethylanthrone-[d6]

    19. Chembl1871596

    20. 10,10-dimethyl-9-anthracenone

    21. Bdbm93912

    22. Dtxsid90202874

    23. Hms3095e12

    24. Amy32506

    25. Bcp20577

    26. Zinc1038974

    27. Mfcd00204395

    28. Nsc 17539

    29. Stk398384

    30. Akos005454004

    31. Ac-2139

    32. 10,10-dimethyl Anthracen-9(10h)-one

    33. 112gi001

    34. As-15903

    35. 4-cyanophenyl-4-trans-ethylcyclohexylbenzoate

    36. Cs-0022215

    37. D5841

    38. Ft-0651629

    39. 447d869

    40. J-504139

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 222.28 g/mol
    Molecular Formula C16H14O
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass222.104465066 g/mol
    Monoisotopic Mass222.104465066 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity290
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1