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CS-W001157 4
Total: USD 88.00

4-Oxocyclohexane-1,1-dicarboxylic acid

  • CAS No. 58230-12-9

  • Cat. No. CS-0069578
  • Purity≥98%
  • MDL No.MFCD12963756

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

4-Oxocyclohexane-1,1-dicarboxylic acid|CS-0069578

Structure of 58230-12-9

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General Information

  • CAS No. 58230-12-9
  • Cat. No. CS-0069578
  • Purity ≥98%
  • MDL No. MFCD12963756
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₅
  • Molecular Weight 186.16
  • Synonym(s) cyclohexanone-4,4-dicarboxylic acid
  • SMILES O=C(C1(C(O)=O)CCC(CC1)=O)O

Synthesis

  • Route1

    References

    • Walley, D.R.; Belletire, J.L. Synthetic Communications, 1984 , vol. 14, # 5 p. 401 - 406
  • Route2
    • null|null
      92454-00-7
    • ~%
    • 4-Oxocyclohexane-1,1-dicarboxylic acid|CS-0069578
      58230-12-9

    References

    • Walley, D.R.; Belletire, J.L. Synthetic Communications, 1984 , vol. 14, # 5 p. 401 - 406
  • Route3
    • 1,3,3,5-Tetraethyl 1,3,3,5-pentanetetracarboxylate|CS-0651484
      6297-36-5
    • ~%
    • 4-Oxocyclohexane-1,1-dicarboxylic acid|CS-0069578
      58230-12-9

    References

    • Walley, D.R.; Belletire, J.L. Synthetic Communications, 1984 , vol. 14, # 5 p. 401 - 406

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

Quality Control

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Computational Chemistry Data

  • TPSA   91.67
  • LogP   0.2851
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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