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Ethyl 1-(2-cyanoethyl)-2-oxocyclohexane-1-carboxylate

  • CAS No. 42894-09-7

  • Cat. No. CS-0233865
  • Molecule weight223.27
  • Purity≥98%
  • MDL No.None

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

Ethyl 1-(2-cyanoethyl)-2-oxocyclohexane-1-carboxylate|CS-0233865

Structure of 42894-09-7

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General Information

  • CAS No. 42894-09-7
  • Cat. No. CS-0233865
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO₃
  • Molecular Weight 223.27
  • Synonym(s) Cyclohexanecarboxylic acid, 1-(2-cyanoethyl)-2-oxo-, ethyl ester
  • SMILES O=C(C1(CCC#N)C(CCCC1)=O)OCC

Synthesis

  • Route1

    References

    • Shibatomi; Nakahashi; Uozumi Synlett, 2000 , # 11 p. 1643 - 1645

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   67.16
  • LogP   1.98278
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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