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CS-W001157 4
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3-Oxoisochroman-1-carboxylic acid

  • CAS No. 55630-93-8

  • Cat. No. CS-0564611
  • Purity≥98%
  • MDL No.None

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

3-Oxoisochroman-1-carboxylic acid|CS-0564611

Structure of 55630-93-8

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General Information

  • CAS No. 55630-93-8
  • Cat. No. CS-0564611
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₄
  • Molecular Weight 192.17
  • Synonym(s) 3-Oxo-3,4-dihydro-1h-isochromene-1-carboxylic acid
  • SMILES O=C(C1OC(CC2=C1C=CC=C2)=O)O

Synthesis

  • Route1
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      17532-66-0
    • ~%
    • 3-Oxoisochroman-1-carboxylic acid|CS-0564611
      55630-93-8

    References

    • Halford; Weissmann Journal of Organic Chemistry, 1953 , vol. 18, p. 30,33
  • Route2

    References

    • Schad Chemische Berichte, 1893 , vol. 26, p. 218

Safety Information

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

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.9116
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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