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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1759-53-1, Carboxycyclopropane, Cyclopropylcarboxylic acid, Cyclopropionic acid, Cyclopropane carboxylic acid, Cpc-acid
    Molecular Formula
    C4H6O2
    Molecular Weight
    86.09  g/mol
    InChI Key
    YMGUBTXCNDTFJI-UHFFFAOYSA-N
    FDA UNII
    008803351S
    CAS 1759-53-1
    1 2D Structure

    CAS 1759-53-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    cyclopropanecarboxylic acid
    2.1.2 InChI
    InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
    2.1.3 InChI Key
    YMGUBTXCNDTFJI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    008803351S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cpca Cpd

    2. Cyclopropane Carboxylic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 1759-53-1

    2. Carboxycyclopropane

    3. Cyclopropylcarboxylic Acid

    4. Cyclopropionic Acid

    5. Cyclopropane Carboxylic Acid

    6. Cpc-acid

    7. Cyclopropanecarboxylicacid

    8. Cyclopropyl Carboxylic Acid

    9. Cyclopropane-carboxylic Acid

    10. Nsc1112

    11. Nsc-1112

    12. 008803351s

    13. Nsc 1112

    14. Einecs 217-162-5

    15. Cyclopropane Carboylic Acid

    16. Brn 0969839

    17. Ai3-30542

    18. Mfcd00001287

    19. Unii-008803351s

    20. Cyclopropylmethanoic Acid

    21. Cyclopropancarboxylic Acid

    22. Cyclpropanecarboxylic Acid

    23. Cyclopropan Carboxylic Acid

    24. Cyclopropyl-carboxylic Acid

    25. Wln: L3tj Avq

    26. 2-cyclopropanecarboxylic Acid

    27. 4-09-00-00003 (beilstein Handbook Reference)

    28. 8 Olaparib Impurity 8

    29. Chembl4649900

    30. Dtxsid1040665

    31. Chebi:23500

    32. Cyclopropanecarboxylic Acid, 95%

    33. Str00627

    34. Zinc1587860

    35. Stl168574

    36. Akos000119770

    37. Am83282

    38. Cs-w018339

    39. Db-016122

    40. Ft-0624283

    41. A812135

    42. Cyclopropanecarboxylic Acid, Purum, >=98.0% (t)

    43. Q-200907

    44. Q2317381

    45. F2191-0028

    46. Z1258948161

    47. Zpj

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 86.09 g/mol
    Molecular Formula C4H6O2
    XLogP30.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass86.036779430 g/mol
    Monoisotopic Mass86.036779430 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity73.6
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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