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CS-W001157 4
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(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid

  • CAS No. 10534-44-8

  • Cat. No. CS-0509604
  • Molecule weight190.15
  • Purity≥98%
  • MDL No.None

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

(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid|CS-0509604

Structure of 10534-44-8

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General Information

  • CAS No. 10534-44-8
  • Cat. No. CS-0509604
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₆
  • Molecular Weight 190.15
  • Synonym(s) 3-Dehydroquinic acid
  • SMILES O=C([C@@]1(O)C[C@@H](O)[C@H](O)C(C1)=O)O

Synthesis

  • Route1
    • null|null
      176798-26-8
    • ~%
    • (1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid|CS-0509604
      10534-44-8

    References

    • Le Sann, Christine; Abell, Chris; Abell, Andrew D. Synthetic Communications, 2003 ,  vol. 33,  # 4  p. 527 - 533

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

Quality Control

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Computational Chemistry Data

  • TPSA   115.06
  • LogP   -2.1132
  • H_Acceptors   5
  • H_Donors   4
  • Rotatable_Bonds   1

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