loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about CAS 5063-03-6, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Virtual Booth

    Contact Supplier

    Axplora- The partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

    Virtual Booth

    Contact Supplier

    Menu

    CAS 5063-03-6

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 5063-03-6, 5-acetyl-2-norbornene, 1-(bicyclo[2.2.1]hept-5-en-2-yl)ethanone, Methyl 5-norbornen-2-yl ketone, 5-acetylbicyclo[2.2.1]hept-2-ene, Ethanone, 1-bicyclo[2.2.1]hept-5-en-2-yl-
    Molecular Formula
    C9H12O
    Molecular Weight
    136.19  g/mol
    InChI Key
    NIMLCWCLVJRPFY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone
    2.1.2 InChI
    InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
    2.1.3 InChI Key
    NIMLCWCLVJRPFY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1CC2CC1C=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5063-03-6

    2. 5-acetyl-2-norbornene

    3. 1-(bicyclo[2.2.1]hept-5-en-2-yl)ethanone

    4. Methyl 5-norbornen-2-yl Ketone

    5. 5-acetylbicyclo[2.2.1]hept-2-ene

    6. Ethanone, 1-bicyclo[2.2.1]hept-5-en-2-yl-

    7. 1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone

    8. 1-{bicyclo[2.2.1]hept-5-en-2-yl}ethan-1-one

    9. Mfcd00167570

    10. 5-acetylnorbornene

    11. Methyl (8,9,10-trinorborn-5-en-2-yl) Ketone

    12. 2-acetyl-5-norbornene, Mixture Of Endo And Exo

    13. 1-[(1r,2r,4r)-bicyclo[2.2.1]hept-5-en-2-yl]ethan-1-one

    14. Schembl301403

    15. Nimlcwclvjrpfy-uhfffaoysa-

    16. Dtxsid50964865

    17. Amy32005

    18. Einecs 225-767-0

    19. Stl363939

    20. Akos000121432

    21. Akos016347360

    22. Akos025243982

    23. Ac-4859

    24. As-49964

    25. Bicyclo[2.2.1]hept-2-ene, 5-acetyl-

    26. Bicyclo[2.2.1]hept-5-ene, 2-acetyl-

    27. Sy015353

    28. 1-bicyclo[2.2.1]hept-5-en-2-ylethanone

    29. Db-020334

    30. 1-(6-bicyclo[2.2.1]hept-2-enyl)ethanone

    31. Ft-0619931

    32. 1-bicyclo[2.2.1]hept-5-en-2-ylethanone #

    33. O10317

    34. Ethanone, 1-[bicyclo[2.2.1]hept-5-en-2-yl]-

    35. J-650008

    36. J-650394

    37. F0001-1321

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 136.19 g/mol
    Molecular Formula C9H12O
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass136.088815002 g/mol
    Monoisotopic Mass136.088815002 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1