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3-Hydroxycyclobutane-1,1-dicarboxylic acid

  • CAS No. 827032-76-8

  • Cat. No. CS-0255111
  • Molecule weight160.12
  • Purity≥97%
  • MDL No.None

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

3-Hydroxycyclobutane-1,1-dicarboxylic acid|CS-0255111

Structure of 827032-76-8

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General Information

  • CAS No. 827032-76-8
  • Cat. No. CS-0255111
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₅
  • Molecular Weight 160.12
  • Synonym(s) 1,1-Cyclobutanedicarboxylic acid, 3-hydroxy-
  • SMILES O=C(C1(C(O)=O)CC(O)C1)O

Synthesis

  • Route1

    References

    • UNIVERSITAeT REGENSBURG Patent: WO2004/99224 A1, 2004 ; Location in patent: Page/Page column 12-14 ;
  • Route2
    • Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate|CS-0052770
      54166-15-3
    • ~%
    • 3-Hydroxycyclobutane-1,1-dicarboxylic acid|CS-0255111
      827032-76-8

    References

    • Zhao, Jian; Gou, Shaohua; Sun, Yanyan; Yin, Runting; Wang, Zhimei Chemistry - A European Journal, 2012 , vol. 18, # 45 p. 14276 - 14281

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   94.83
  • LogP   -0.7033
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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