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CS-W001157 4
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7-Hydroxy-5-methoxy-2,3-dihydro-1H-inden-1-one

  • CAS No. 76842-70-1

  • Cat. No. CS-0150477
  • Molecule weight178.18
  • Purity≥98%
  • MDL No.MFCD18208821

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

7-Hydroxy-5-methoxy-2,3-dihydro-1H-inden-1-one|CS-0150477

Structure of 76842-70-1

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General Information

  • CAS No. 76842-70-1
  • Cat. No. CS-0150477
  • Purity ≥98%
  • MDL No. MFCD18208821
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.18
  • Synonym(s) 7-hydroxy-5-methoxy-2,3-dihydroinden-1-one
  • SMILES COC1=CC(=C2C(=C1)CCC2=O)O

Synthesis

  • Route1

    References

    • BAYER PHARMACEUTICALS CORPORATION Patent: WO2004/11446 A1, 2004 ; Location in patent: Page 73 ;
  • Route2

    References

    • Crombie, Leslie; Tuchinda, Patoomratana; Powell, Michael J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , p. 1477 - 1484
  • Route3

    References

    • Crombie, Leslie; Tuchinda, Patoomratana; Powell, Michael J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , p. 1477 - 1484

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.5297
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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