Cas no 80129-52-8 (4-hydroxy-1H-Indole-2-carboxylic acid)

4-hydroxy-1H-Indole-2-carboxylic acid structure
80129-52-8 structure
Product Name:4-hydroxy-1H-Indole-2-carboxylic acid
CAS No:80129-52-8
MF:C9H7NO3
MW:177.156782388687
MDL:MFCD13178446
CID:706256
PubChem ID:14859101
Update Time:2024-10-27

4-hydroxy-1H-Indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-hydroxy-1H-Indole-2-carboxylic acid
    • 1H-Indole-2-carboxylic acid, 4-hydroxy-
    • 4-hydroxy-2-indolecarboxylic acid
    • AG-H-21441
    • AGN-PC-002TCF
    • CHEBI:131470
    • CHEMBL285303
    • CTK3E6012
    • F2158-0635
    • SureCN2762336
    • 4-Hydroxy-1H-indole-2-carboxylic acid (ACI)
    • DTXSID10564764
    • FT-0747590
    • SB14983
    • 4-Hydroxy-1H-indole-2-carboxylicacid
    • SCHEMBL2762336
    • AKOS006336175
    • MFCD13178446
    • 80129-52-8
    • EN300-214991
    • DA-39366
    • MDL： MFCD13178446
    • Inchi： 1S/C9H7NO3/c11-8-3-1-2-6-5(8)4-7(10-6)9(12)13/h1-4,10-11H,(H,12,13)
    • InChI Key： IVVRSMJJVHKMFO-UHFFFAOYSA-N
    • SMILES： O=C(C1NC2C(=C(C=CC=2)O)C=1)O

Computed Properties

  • Exact Mass: 177.042593085g/mol
  • Monoisotopic Mass: 177.042593085g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 219
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 73.3?2

Experimental Properties

  • Density: 1.57
  • Boiling Point: 511.4 °C at 760 mmHg
  • Flash Point: 263.1 °C

4-hydroxy-1H-Indole-2-carboxylic acid Pricemore >>

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4-hydroxy-1H-Indole-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
Reference
Novel indole-2-carboxylates as ligands for the strychnine-insensitive N-methyl-D-aspartate-linked glycine receptor
Gray, Nancy M.; et al, Journal of Medicinal Chemistry, 1991, 34(4), 1283-92

Production Method 2

Reaction Conditions
Reference
Novel indole-2-carboxylates as ligands for the strychnine-insensitive N-methyl-D-aspartate-linked glycine receptor
Gray, Nancy M.; et al, Journal of Medicinal Chemistry, 1991, 34(4), 1283-92

Production Method 3

Reaction Conditions
Reference
Novel indole-2-carboxylates as ligands for the strychnine-insensitive N-methyl-D-aspartate-linked glycine receptor
Gray, Nancy M.; et al, Journal of Medicinal Chemistry, 1991, 34(4), 1283-92

Production Method 4

Reaction Conditions
Reference
Novel indole-2-carboxylates as ligands for the strychnine-insensitive N-methyl-D-aspartate-linked glycine receptor
Gray, Nancy M.; et al, Journal of Medicinal Chemistry, 1991, 34(4), 1283-92

4-hydroxy-1H-Indole-2-carboxylic acid Raw materials

4-hydroxy-1H-Indole-2-carboxylic acid Preparation Products

4-hydroxy-1H-Indole-2-carboxylic acid Related Literature

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