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9-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid

  • CAS No. 85124-48-7

  • Cat. No. CS-0563683
  • Molecule weight204.22
  • Purity≥98%
  • MDL No.None

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

9-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid|CS-0563683

Structure of 85124-48-7

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General Information

  • CAS No. 85124-48-7
  • Cat. No. CS-0563683
  • 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) 6,7,8,9-Tetrahydro-9-oxo-5H-benzocycloheptene-6-carboxylic acid
  • SMILES C1CC(=O)C2=CC=CC=C2CC1C(=O)O

Synthesis

  • Route1
    • null|null
      85124-47-6
    • ~%
    • 9-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid|CS-0563683
      85124-48-7

    References

    • Miller, Stephen J.; Proctor, George R.; Scopes, David I. C. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , # 12 p. 2927 - 2934

Safety Information

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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

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.9064
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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