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CS-W001157 4
Total: USD 88.00

1-Oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid

  • CAS No. 5762-27-6

  • Cat. No. CS-0071788
  • Molecule weight192.17
  • Purity≥97%
  • MDL No.MFCD00483639

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

1-Oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid|CS-0071788

Structure of 5762-27-6

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General Information

  • CAS No. 5762-27-6
  • Cat. No. CS-0071788
  • Purity ≥97%
  • MDL No. MFCD00483639
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₄
  • Molecular Weight 192.17
  • Synonym(s) 1-Oxo-isochroman-3-carboxylic acid
  • SMILES O=C(C1=CC=CC=C1C2)OC2C(O)=O

Synthesis

  • Route1
    • null|null
      890641-69-7
    • ~%
    • 1-Oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid|CS-0071788
      5762-27-6

    References

    • Matiychuk; Turytsya; Obushak Chemistry of Heterocyclic Compounds, 2007 , vol. 43, # 12 p. 1589 - 1590
  • Route2
    • null|null
      1196490-35-3
    • ~%
    • 1-Oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid|CS-0071788
      5762-27-6

    References

    • Matiychuk; Turytsya; Obushak Chemistry of Heterocyclic Compounds, 2007 , vol. 43, # 12 p. 1589 - 1590
  • Route3
    • 1-Oxo-1H-isochromene-3-carboxylic acid|CS-0464846
      2289-03-4
    • ~%
    • 1-Oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid|CS-0071788
      5762-27-6

    References

    • Bamberger; Lodter Chemische Berichte, 1893 , vol. 26, p. 1834 Justus Liebigs Annalen der Chemie, 1895 , vol. 288, p. 97 Anm.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.8527
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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