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Ethyl 6-hydroxy-2-oxo-2H-chromene-3-carboxylate

  • CAS No. 70160-51-9

  • Cat. No. CS-0555777
  • Purity≥98%
  • MDL No.None

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

Ethyl 6-hydroxy-2-oxo-2H-chromene-3-carboxylate|CS-0555777

Structure of 70160-51-9

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General Information

  • CAS No. 70160-51-9
  • Cat. No. CS-0555777
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀O₅
  • Molecular Weight 234.20
  • Synonym(s) 6-Hydroxycoumarin-3-carboxylic acid ethyl ester
  • SMILES CCOC(=O)C1=CC2=C(C=CC(=C2)O)OC1=O

Synthesis

  • Route1

    References

    • Cerqueira, Nuno M. F. S. A.; Rodrigues, Ligia M.; Oliveira-Campos, Ana M. F.; Melo de Carvalho, Luis H.; Coelho, Paulo J.; Dubest, Roger; Aubard, Jean; Samat, Andre; Guglielmetti, Robert Helvetica Chimica Acta, 2003 , vol. 86, # 9 p. 3244 - 3253
  • Route2
    • null|null
      13229-87-3
    • ~92%
    • Ethyl 6-hydroxy-2-oxo-2H-chromene-3-carboxylate|CS-0555777
      70160-51-9

    References

    • Valizadeh, Hassan; Fakhari, Ashraf Journal of Heterocyclic Chemistry, 2009 , vol. 46, # 6 p. 1392 - 1395

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   76.74
  • LogP   1.6753
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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