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5-Acetyl-2-methoxybenzaldehyd

  • CAS No. 531-99-7

  • Cat. No. CS-0196281
  • Molecule weight178.18
  • Purity≥98%
  • MDL No.None

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

5-Acetyl-2-methoxybenzaldehyd|CS-0196281

Structure of 531-99-7

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General Information

  • CAS No. 531-99-7
  • Cat. No. CS-0196281
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.18
  • Synonym(s) 5-Acetyl-2-methoxybenzaldehyde
  • SMILES O=CC1=CC(C(C)=O)=CC=C1OC

Synthesis

  • Route1

    References

    • Gray; Bonner Journal of the American Chemical Society, 1948 , vol. 70, p. 1249,1250
  • Route2
    • null|null
      67-66-3
    • 5-Acetyl-2-methoxybenzonitrile|CS-0245360
      113016-89-0
    • ~%
    • 5-Acetyl-2-methoxybenzaldehyd|CS-0196281
      531-99-7

    References

    • Gray; Bonner Journal of the American Chemical Society, 1948 , vol. 70, p. 1249,1250
  • Route3
    • null|null
      81224-35-3
    • ~%
    • 5-Acetyl-2-methoxybenzaldehyd|CS-0196281
      531-99-7

    References

    • Laali, Kenneth K.; Koser, Gerald F.; Subramanyam, Sundar; Forsyth, David A. Journal of Organic Chemistry, 1993 , vol. 58, # 6 p. 1385 - 1392

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.7103
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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