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CS-W001157 4
Total: USD 88.00

4',5'-Dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid

  • CAS No. 82855-39-8

  • Cat. No. CS-0373884
  • Purity95+%
  • MDL No.MFCD22573590

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

4',5'-Dichloro-3',6'-dihydroxy-2',7'-dimethoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid|CS-0373884

Structure of 82855-39-8

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General Information

  • CAS No. 82855-39-8
  • Cat. No. CS-0373884
  • Purity 95+%
  • MDL No. MFCD22573590
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₁₄Cl₂O₉
  • Molecular Weight 505.26
  • Synonym(s) 4,5-DICHLORO-3,6-DIHYDROXY-2,7-DIMETHOXY-3-OXO-3H-SPIRO[ISOBENZOFURAN-1,9-XANTHENE]-5-CARBOXYLIC ACID
  • SMILES O=C(C1=CC=C2C(C(OC23C4=CC(OC)=C(C(Cl)=C4OC5=C(C(O)=C(C=C53)OC)Cl)O)=O)=C1)O

Synthesis

  • Route1

    References

    • Tsybulsky, Dmitry A.; Kvach, Maksim V.; Stepanova, Irina A.; Korshun, Vladimir A.; Shmanai, Vadim V. Journal of Organic Chemistry, 2012 , vol. 77, # 2 p. 977 - 984
  • Route2

    References

    • Tsybulsky, Dmitry A.; Kvach, Maksim V.; Stepanova, Irina A.; Korshun, Vladimir A.; Shmanai, Vadim V. Journal of Organic Chemistry, 2012 , vol. 77, # 2 p. 977 - 984

Safety Information

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Computational Chemistry Data

  • TPSA   131.75
  • LogP   4.688
  • H_Acceptors   8
  • H_Donors   3
  • Rotatable_Bonds   3

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