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CS-W001157 4
Total: USD 88.00

3-[2-(tert-Butoxy)-2-oxoethyl]bicyclo[1.1.1]pentane-1-carboxylic acid

  • CAS No. 1113001-76-5

  • Cat. No. CS-0055567
  • Molecule weight226.27
  • Purity≥97%
  • MDL No.None

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

3-[2-(tert-Butoxy)-2-oxoethyl]bicyclo[1.1.1]pentane-1-carboxylic acid|CS-0055567

Structure of 1113001-76-5

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General Information

  • CAS No. 1113001-76-5
  • Cat. No. CS-0055567
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O₄
  • Molecular Weight 226.27
  • Synonym(s) Bicyclo[1.1.1]pentane-1-acetic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester
  • SMILES O=C(C1(C2)CC2(CC(OC(C)(C)C)=O)C1)O

Safety Information

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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   63.6
  • LogP   1.9731
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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