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CS-W001157 4
Total: USD 88.00

4-(2-Cyanopropan-2-yl)benzoic acid

  • CAS No. 129488-74-0

  • Cat. No. CS-0097683
  • Purity≥98%
  • MDL No.MFCD12761251

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

4-(2-Cyanopropan-2-yl)benzoic acid|CS-0097683

Structure of 129488-74-0

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General Information

  • CAS No. 129488-74-0
  • Cat. No. CS-0097683
  • Purity ≥98%
  • MDL No. MFCD12761251
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 4-(2-Cyano-2-propyl)benzoic Acid
  • SMILES O=C(C1=CC=C(C=C1)C(C#N)(C)C)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   61.09
  • LogP   2.18598
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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