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Ethyl 3-methyl-4-oxocyclohexane-1-carboxylate

  • CAS No. 1207529-72-3

  • Cat. No. CS-0442045
  • Molecule weight184.23
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-methyl-4-oxocyclohexane-1-carboxylate|CS-0442045

Structure of 1207529-72-3

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General Information

  • CAS No. 1207529-72-3
  • Cat. No. CS-0442045
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆O₃
  • Molecular Weight 184.23
  • Synonym(s) Ethyl 3-methyl-4-oxo-cyclohexanecarboxylate
  • SMILES CCOC(=O)C1CCC(=O)C(C)C1

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME CORP.; BARR, Kenneth Jay; MACLEAN, John; ZHANG, Hongjun; BERESIS, Richard Thomas; ZHANG, Dongshan Patent: WO2014/28597 A2, 2014 ; Location in patent: Page/Page column 90 ;

Safety Information

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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.5548
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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