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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 82119-77-5

  • Cat. No. CS-0319386
  • Purity≥98%
  • MDL No.None

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

8-Allyl-2-oxo-2H-chromene-3-carboxylic acid|CS-0319386

Structure of 82119-77-5

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General Information

  • CAS No. 82119-77-5
  • Cat. No. CS-0319386
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀O₄
  • Molecular Weight 230.22
  • Synonym(s) Theophylline,8-allyl
  • SMILES C=CCC1=C2C(=CC=C1)C=C(C(=O)O)C(=O)O2

Synthesis

  • Route1
    • Ethyl 8-allyl-2-oxo-2H-chromene-3-carboxylate|CS-0323867
      250362-64-2
    • ~%
    • 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid|CS-0319386
      82119-77-5

    References

    • Buu-Hoi et al. Bulletin de la Societe Chimique de France, 1947 , p. 128,135
  • Route2

    References

    • Buu-Hoi et al. Bulletin de la Societe Chimique de France, 1947 , p. 128,135
  • Route3

    References

    • Endo Prod. Inc. Patent: US2683720 , 1949 ;

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   67.51
  • LogP   2.2197
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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