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CS-W001157 4
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1-Oxo-1H-isochromene-3-carboxylic acid

  • CAS No. 2289-03-4

  • Cat. No. CS-0464846
  • Purity≥98%
  • MDL No.MFCD03819933

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

1-Oxo-1H-isochromene-3-carboxylic acid|CS-0464846

Structure of 2289-03-4

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General Information

  • CAS No. 2289-03-4
  • Cat. No. CS-0464846
  • Purity ≥98%
  • MDL No. MFCD03819933
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆O₄
  • Molecular Weight 190.15
  • Synonym(s) 1-oxo-1H-2-bezopyran-3-carboxylic acid
  • SMILES C1=CC=C2C(=C1)C=C(C(=O)O)OC2=O

Synthesis

  • Route1

    References

    • Deore; Chen; Chang; Chuang; Chern; Wang Current Medicinal Chemistry, 2012 , vol. 19, # 4 p. 613 - 624
  • Route2
    • Phthalaldehydic acid Butylphthalide  Impurity|CS-0228924
      119-67-5
    • ~%
    • 1-Oxo-1H-isochromene-3-carboxylic acid|CS-0464846
      2289-03-4

    References

    • Hickey, Deirdre M. B.; MacKenzie, A. Roderick; Moody, Christopher J.; Rees, Charles W. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1987 , p. 921 - 926
  • Route3
    • null|null
      89806-27-9
    • ~%
    • 1-Oxo-1H-isochromene-3-carboxylic acid|CS-0464846
      2289-03-4

    References

    • Johnston et al. Journal of Organic Chemistry, 1948 , vol. 13, p. 477,482

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.51
  • LogP   1.4912
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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