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CS-W001157 4
Total: USD 88.00

Methyl 4-(2-cyanopropan-2-yl)benzoate

  • CAS No. 129488-73-9

  • Cat. No. CS-0161007
  • Purity≥98%
  • MDL No.MFCD19694853

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

Methyl 4-(2-cyanopropan-2-yl)benzoate|CS-0161007

Structure of 129488-73-9

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General Information

  • CAS No. 129488-73-9
  • Cat. No. CS-0161007
  • Purity ≥98%
  • MDL No. MFCD19694853
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₂
  • Molecular Weight 203.24
  • Synonym(s) Benzoic acid, 4-(1-cyano-1-methylethyl)-, methyl ester
  • SMILES O=C(OC)C1=CC=C(C(C)(C#N)C)C=C1

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.27438
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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