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CS-W001157 4
Total: USD 88.00

4-Hydroxy-1H-indole-2-carboxylic acid

  • CAS No. 80129-52-8

  • Cat. No. CS-0070999
  • Purity≥97%
  • MDL No.None

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

4-Hydroxy-1H-indole-2-carboxylic acid|CS-0070999

Structure of 80129-52-8

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General Information

  • CAS No. 80129-52-8
  • Cat. No. CS-0070999
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) 4-hydroxy-2-indolecarboxylic acid
  • SMILES O=C(O)C(NC1=CC=C2)=CC1=C2O

Synthesis

  • Route1
    • 4-Benzyloxyindole-2-carboxylic acid|CS-0207183
      39731-09-4
    • ~58%
    • 4-Hydroxy-1H-indole-2-carboxylic acid|CS-0070999
      80129-52-8

    References

    • Journal of Medicinal Chemistry, , vol. 34, # 4 p. 1283 - 1292
  • Route2
    • null|null
      95264-30-5
    • ~%
    • 4-Hydroxy-1H-indole-2-carboxylic acid|CS-0070999
      80129-52-8

    References

    • Journal of Medicinal Chemistry, , vol. 34, # 4 p. 1283 - 1292
  • Route3
    • Ethyl 4-(benzyloxy)-1H-indole-2-carboxylate|CS-0450438
      27737-55-9
    • ~%
    • 4-Hydroxy-1H-indole-2-carboxylic acid|CS-0070999
      80129-52-8

    References

    • Journal of Medicinal Chemistry, , vol. 34, # 4 p. 1283 - 1292

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   73.32
  • LogP   1.5717
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   1

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