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CS-W001157 4
Total: USD 88.00

3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid

  • CAS No. 878742-28-0

  • Cat. No. CS-0456862
  • Purity≥98%
  • MDL No.None

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

3-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid|CS-0456862

Structure of 878742-28-0

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General Information

  • CAS No. 878742-28-0
  • Cat. No. CS-0456862
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₃
  • Molecular Weight 204.22
  • Synonym(s) 3-(3-Hydroxy-3-Methylbut-1-Ynyl)Benzoic Acid
  • SMILES CC(C)(C#CC1=CC(=CC=C1)C(=O)O)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-H319
Precautionary Statements : P264-P270-P280-P330-P501

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.5072
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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