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CS-W001157 4
Total: USD 88.00

Apiole

  • CAS No. 523-80-8

  • Cat. No. CS-0109902
  • Purity≥98%
  • MDL No.MFCD00047270

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

Apiole|CS-0109902

Structure of 523-80-8

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General Information

  • CAS No. 523-80-8
  • Cat. No. CS-0109902
  • Purity ≥98%
  • MDL No. MFCD00047270
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) None
  • SMILES C=CCC1=CC(OC)=C(OCO2)C2=C1OC

Synthesis

  • Route1

    References

    • Tsukada, Naofumi; Yagura, Yasushige; Sato, Tetsuo; Inoue, Yoshio Synlett, 2003 , # 10 p. 1431 - 1434
  • Route2
    • null|null
      109073-00-9
    • ~%
    • Apiole|CS-0109902
      523-80-8

    References

    • Baker; Savage Journal of the Chemical Society, 1938 , p. 1602,1605
  • Route3
    • null|null
      857579-63-6
    • ~%
    • Apiole|CS-0109902
      523-80-8

    References

    • Baker; Savage Journal of the Chemical Society, 1938 , p. 1602,1605

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   36.92
  • LogP   2.161
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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