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    CAS 16874-33-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2-tetrahydrofuroic acid, 16874-33-2, Tetrahydro-2-furoic acid, Oxolane-2-carboxylic acid, Tetrahydro-2-furancarboxylic acid, 2-furancarboxylic acid, tetrahydro-
    Molecular Formula
    C5H8O3
    Molecular Weight
    116.11  g/mol
    InChI Key
    UJJLJRQIPMGXEZ-UHFFFAOYSA-N
    FDA UNII
    CJ7M2QK6X3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    oxolane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)
    2.1.3 InChI Key
    UJJLJRQIPMGXEZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(OC1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    CJ7M2QK6X3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Tetrahydro-2-furancarboxylic Acid

    2. Tetrahydrofuroic Acid

    3. Thfc

    2.3.2 Depositor-Supplied Synonyms

    1. 2-tetrahydrofuroic Acid

    2. 16874-33-2

    3. Tetrahydro-2-furoic Acid

    4. Oxolane-2-carboxylic Acid

    5. Tetrahydro-2-furancarboxylic Acid

    6. 2-furancarboxylic Acid, Tetrahydro-

    7. Furancarboxylic Acid, Tetrahydro-

    8. Cj7m2qk6x3

    9. Nsc-521564

    10. Thfc

    11. 1219798-42-1

    12. Unii-cj7m2qk6x3

    13. Tetrahydro-furan-2-carboxylic Acid

    14. Mfcd00272639

    15. Tetrahydrofuroic Acid

    16. Ai3-25435

    17. Tetrahydro 2-furanoic Acid

    18. Ec 605-530-1

    19. Schembl92737

    20. Tetrahydrofuran Carboxylic Acid

    21. Chembl4447232

    22. Tetrahydro-2-furoic Acid-[d7]

    23. 2-tetrahydro-furancarboxylic Acid

    24. Tetrahydro-2-furoic Acid, 97%

    25. Ujjljrqipmgxez-uhfffaoysa-

    26. Us10562844, Compound 2

    27. (+/-)-tetrahydro-2-furoic Acid

    28. Bdbm433354

    29. Dtxsid601030927

    30. Tetrahydrofurane-2-carboxylic Acid

    31. Str03950

    32. Bbl001404

    33. Mfcd00022473

    34. Nsc521564

    35. Rac-tetrahydrofuran-2-carboxylic Acid

    36. Stl114883

    37. Akos000120689

    38. Akos016370856

    39. Cs-w018496

    40. Nsc 521564

    41. Sb44722

    42. Tetrahydrofuran-2-carboxylicacid

    43. (s)-(-)-2-carboxytetrahydrofuroicacid

    44. (r,s)-tetrahydrofuran-2-carboxylic Acid

    45. (rs)-tetrahydro-furan-2-carboxylic Acid

    46. (+/-)-tetrahydrofuran-2-carboxylic Acid

    47. (^+)-tetrahydro-2-furoic Acid, 97+%

    48. Sy016392

    49. Ts-01601

    50. (r)?-?(+)?-?2-?tetrahydrofuroic Acid

    51. Db-016192

    52. Db-018123

    53. Am20090013

    54. Ft-0604460

    55. Ft-0605098

    56. Ft-0605216

    57. Ft-0605347

    58. T1348

    59. 1,2,3,4-tetrahydrofuran-2-carboxylic Acid

    60. J-502313

    61. J-510334

    62. Q15634146

    63. F2191-0139

    64. Terazosin Hydrochloride Impurity, Tetrahydro-2-furancarboxylic Acid- [usp Impurity]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 116.11 g/mol
    Molecular Formula C5H8O3
    XLogP30.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass116.047344113 g/mol
    Monoisotopic Mass116.047344113 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity99.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1