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    CAS-88-14-2

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: Furan-2-carboxylic acid, 88-14-2, 2-furancarboxylic acid, Pyromucic acid, 2-carboxyfuran, Furancarboxylic acid
    Molecular Formula
    C5H4O3
    Molecular Weight
    112.08  g/mol
    InChI Key
    SMNDYUVBFMFKNZ-UHFFFAOYSA-N
    FDA UNII
    P577F6494A
    furoic acid is a natural product found in Aloe africana, Osbeckia chinensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    furan-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
    2.1.3 InChI Key
    SMNDYUVBFMFKNZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=COC(=C1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    P577F6494A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-furancarboxylic Acid

    2. 2-furoic Acid, Sodium Salt

    3. Furan-2-carboxylate

    4. Furan-2-ylacetate

    5. Furan-3-carboxylic

    2.3.2 Depositor-Supplied Synonyms

    1. Furan-2-carboxylic Acid

    2. 88-14-2

    3. 2-furancarboxylic Acid

    4. Pyromucic Acid

    5. 2-carboxyfuran

    6. Furancarboxylic Acid

    7. Furoic Acid

    8. Alpha-furoic Acid

    9. 2-furanoic Acid

    10. Alpha-furancarboxylic Acid

    11. 26447-28-9

    12. Kyselina 2-furoova

    13. Kyselina Pyroslizova

    14. .alpha.-furoic Acid

    15. Nsc 8842

    16. .alpha.-furancarboxylic Acid

    17. Mfcd00003238

    18. Chebi:30845

    19. Nsc-8842

    20. P577f6494a

    21. Kyselina 2-furoova [czech]

    22. Kyselina Pyroslizova [czech]

    23. Ccris 2157

    24. Nsc-58965

    25. Einecs 201-803-0

    26. Einecs 247-713-5

    27. Brn 0110149

    28. Pyromucate

    29. Furoate

    30. Furoica

    31. Furanoic Acid

    32. Furancarboxylate

    33. Alpha-furoate

    34. Furic Acid

    35. Beta-furoate

    36. 2-furoic Acid [per Einecs]

    37. Ai3-16500

    38. A-furoate

    39. B-furoate

    40. 2-furoicacid

    41. A-furoic Acid

    42. B-furoic Acid

    43. Acido 2-furoico

    44. Beta-furoic Acid

    45. Unii-p577f6494a

    46. 2-furanoate

    47. A-furancarboxylate

    48. Acide 2-furoique

    49. B-furancarboxylate

    50. Furancarbonylic Acid

    51. Beta-furancarboxylate

    52. Furan-2-carbonsaeure

    53. Alpha-furancarboxylate

    54. A-furancarboxylic Acid

    55. B-furancarboxylic Acid

    56. Furan-2-carboxylicacid

    57. Furoic Acid (related)

    58. 2-furanecarboxylic Acid

    59. 2-furan Carboxylic Acid

    60. Beta-furancarboxylic Acid

    61. Furane-2-carboxylic Acid

    62. 2-furoic Acid, 98%

    63. Furancarboxylic Acid-(2)

    64. Bmse000330

    65. Dsstox_cid_21420

    66. Dsstox_rid_79724

    67. Dsstox_gsid_41420

    68. Schembl24446

    69. 5-18-06-00102 (beilstein Handbook Reference)

    70. 2-furoic Acid [mi]

    71. Chembl1232797

    72. Dtxsid6041420

    73. Nsc8842

    74. Zinc158555

    75. 2-furoic Acid, Analytical Standard

    76. Str01019

    77. Wgc36563

    78. Tox21_301128

    79. Bbl009679

    80. S4864

    81. Stk256918

    82. 2-furoic Acid [usp Impurity]

    83. Akos000119036

    84. Ccg-266054

    85. Cs-w013662

    86. Hy-w012946

    87. Ps-3380

    88. Cas-88-14-2

    89. Ncgc00248301-01

    90. Ncgc00255027-01

    91. F0081

    92. Ft-0612470

    93. Ft-0777874

    94. C01546

    95. Ab00375923-02

    96. Ac-907/25014051

    97. Q2210953

    98. W-100416

    99. F9995-1642

    100. Z256709158

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 112.08 g/mol
    Molecular Formula C5H4O3
    XLogP30.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass112.016043985 g/mol
    Monoisotopic Mass112.016043985 g/mol
    Topological Polar Surface Area50.4 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity99.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1