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CS-W001157 4
Total: USD 88.00

1-Oxo-1,3-dihydroisobenzofuran-4-carboxylic acid

  • CAS No. 4792-27-2

  • Cat. No. CS-0452785
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-Oxo-1,3-dihydroisobenzofuran-4-carboxylic acid|CS-0452785

Structure of 4792-27-2

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General Information

  • CAS No. 4792-27-2
  • Cat. No. CS-0452785
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₄
  • Molecular Weight 178.14
  • Synonym(s) 4-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-
  • SMILES C1=CC(=C2COC(=O)C2=C1)C(=O)O

Synthesis

  • Route1
    • null|null
      118-69-4
    • ~%
    • In-stock
      1-Oxo-1,3-dihydroisobenzofuran-4-carboxylic acid|CS-0452785
      4792-27-2

    References

    • Skeean; Goel Synthesis, 1990 , # 7 p. 628 - 630
  • Route2
    • 2-Methylisophthalonitrile|CS-0320642
      2317-22-8
    • ~%
    • In-stock
      1-Oxo-1,3-dihydroisobenzofuran-4-carboxylic acid|CS-0452785
      4792-27-2

    References

    • Skeean; Goel Synthesis, 1990 , # 7 p. 628 - 630
  • Route3

    References

    • Strauss,M.J. et al. Journal of the American Chemical Society, 1968 , vol. 90, # 13 p. 3473 - 3478

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.0552
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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