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CS-W001157 4
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Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate

  • CAS No. 121114-45-2

  • Cat. No. CS-0215953
  • Molecule weight190.20
  • Purity≥98%
  • MDL No.None

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

Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate|CS-0215953

Structure of 121114-45-2

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General Information

  • CAS No. 121114-45-2
  • Cat. No. CS-0215953
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₃
  • Molecular Weight 190.20
  • Synonym(s) Benzoic acid, 3-(3-hydroxy-1-propyn-1-yl)-, methyl ester
  • SMILES COC(=O)C1=CC=CC(=C1)C#CCO

Synthesis

  • Route1
    • In-stock
      Methyl 3-iodobenzoate|CS-W004679
      618-91-7
    • null|null
      107-19-7
    • ~%
    • In-stock
      Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate|CS-0215953
      121114-45-2

    References

    • Kasibhatla, Srinivas Rao; Bookser, Brett C.; Probst, Gary; Appleman, James R.; Erion, Mark D. Journal of Medicinal Chemistry, 2000 , vol. 43, # 8 p. 1508 - 1518

Safety Information

Download SDS
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   46.53
  • LogP   0.817
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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