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    Technical details about CAS 411235-57-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 411235-57-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 411235-57-9, Cyclopropyl boronic acid, Cyclopropaneboronic acid, Cyclopropylboronicacid, Boronic acid, cyclopropyl-, Mfcd04038750
    Molecular Formula
    C3H7BO2
    Molecular Weight
    85.90  g/mol
    InChI Key
    WLVKDFJTYKELLQ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    cyclopropylboronic acid
    2.1.2 InChI
    InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
    2.1.3 InChI Key
    WLVKDFJTYKELLQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B(C1CC1)(O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 411235-57-9

    2. Cyclopropyl Boronic Acid

    3. Cyclopropaneboronic Acid

    4. Cyclopropylboronicacid

    5. Boronic Acid, Cyclopropyl-

    6. Mfcd04038750

    7. Boronic Acid, Cyclopropyl- (9ci)

    8. Cyclopropyl-boronic Acid

    9. Cyclopropylboranediol

    10. Cyclopropyboronic Acid

    11. Cyclopropylboromc Acid

    12. Cycloproylboronic Acid

    13. Cyclopropanboronic Acid

    14. Cylcopropylboronic Acid

    15. Cyclopropyl Boronic Cid

    16. Cycloproyl Boronic Acid

    17. Cyclo-propylboronic Acid

    18. Cyclopropanylboronic Acid

    19. Cyclopropane Boronic Acid

    20. Cyclo-propyl Boronic Acid

    21. Dtxsid00375402

    22. Act02189

    23. Bcp27024

    24. Cs-d1018

    25. Bbl104367

    26. Stl558619

    27. Zb0043

    28. Akos004119250

    29. Zinc169743788

    30. Ab17174

    31. Ac-6414

    32. Gs-6568

    33. Ncgc00249445-01

    34. Bp-10013

    35. Sy004028

    36. Db-014145

    37. Am20100093

    38. Ft-0630055

    39. Ft-0652978

    40. 235c579

    41. Q-200912

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 85.90 g/mol
    Molecular Formula C3H7BO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass86.0539096 g/mol
    Monoisotopic Mass86.0539096 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity50.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1