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    CAS-3721-95-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 3721-95-7, Cyclobutylcarboxylic acid, Cyclo-butyl formic acid, Cyclobutane carboxylic acid, 0rdj7c51o0, Nsc-4535
    Molecular Formula
    C5H8O2
    Molecular Weight
    100.12  g/mol
    InChI Key
    TXWOGHSRPAYOML-UHFFFAOYSA-N
    FDA UNII
    0RDJ7C51O0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    cyclobutanecarboxylic acid
    2.1.2 InChI
    InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
    2.1.3 InChI Key
    TXWOGHSRPAYOML-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(C1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    0RDJ7C51O0
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3721-95-7

    2. Cyclobutylcarboxylic Acid

    3. Cyclo-butyl Formic Acid

    4. Cyclobutane Carboxylic Acid

    5. 0rdj7c51o0

    6. Nsc-4535

    7. Nsc 4535

    8. Einecs 223-072-7

    9. Mfcd00001323

    10. Brn 1816777

    11. Unii-0rdj7c51o0

    12. Cyclobutan Carboxylic Acid

    13. Cyclobutyl Carboxylic Acid

    14. Cyclobutancecarboxylic Acid

    15. Cyclobutane-carboxylic Acid

    16. Cyclobutancarbonsäure

    17. 4-cyclobutanecarboxylic Acid

    18. Dsstox_cid_31514

    19. Dsstox_rid_97399

    20. Dsstox_gsid_57725

    21. Schembl17470

    22. Cyclobutane-1-carboxylic Acid

    23. 4-09-00-00006 (beilstein Handbook Reference)

    24. Cyclobutanecarboxylicacid

    25. Chembl3560137

    26. Dtxsid3057725

    27. Amcb00076

    28. Cyclobutanecarboxylic Acid, 98%

    29. Nsc4535

    30. Act03330

    31. Zinc1673440

    32. Tox21_113791

    33. Stk802616

    34. Akos000119716

    35. Am62800

    36. Cs-w011325

    37. Gs-3206

    38. Sb40646

    39. Ncgc00253667-01

    40. Ac-27351

    41. Cas-3721-95-7

    42. Db-016112

    43. Ft-0624149

    44. Aj-190/40848564

    45. Sr-01000945129

    46. Sr-01000945129-1

    47. W-106559

    48. Q27237141

    49. F2191-0054

    50. Z1270212509

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 100.12 g/mol
    Molecular Formula C5H8O2
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass100.052429494 g/mol
    Monoisotopic Mass100.052429494 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity84.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1