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8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid

  • CAS No. 2555-20-6

  • Cat. No. CS-0076795
  • Purity≥97%
  • MDL No.MFCD01116499

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

8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid|CS-0076795

Structure of 2555-20-6

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General Information

  • CAS No. 2555-20-6
  • Cat. No. CS-0076795
  • Purity ≥97%
  • MDL No. MFCD01116499
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈O₅
  • Molecular Weight 220.18
  • Synonym(s) 8-METHOXY COUMARIN-3-CARBOXYLIC ACID
  • SMILES O=C(O1)C(C(O)=O)=CC2=C1C(OC)=CC=C2

Synthesis

  • Route1

    References

    • Garino, Cedrik; Tomita, Taisuke; Pietrancosta, Nicolas; Laras, Younes; Rosas, Roselyne; Herbette, Gaetan; Maigret, Bernard; Quelever, Gilles; Iwatsubo, Takeshi; Kraus, Jean-Louis Journal of Medicinal Chemistry, 2006 , vol. 49, # 14 p. 4275 - 4285
  • Route2

    References

    • Heravi, Majid M.; Hekmatshoar, Rahim; Emamgholizadeh, Maryam Phosphorus, Sulfur and Silicon and the Related Elements, 2004 , vol. 179, # 9 p. 1893 - 1896
  • Route3
    • Ethyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate|CS-0324196
      1729-02-8
    • ~%
    • 8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid|CS-0076795
      2555-20-6

    References

    • Proceedings of the National Institute of Sciences of India, , vol. 6, p. 641,656

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-H332-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   76.74
  • LogP   1.4998
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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