Cas no 81779-30-8 (1H-Indole-3-carbonitrile,4-hydroxy-)

1H-Indole-3-carbonitrile,4-hydroxy- structure
81779-30-8 structure
Product Name:1H-Indole-3-carbonitrile,4-hydroxy-
CAS No:81779-30-8
MF:C9H6N2O
MW:158.15674161911
CID:708195
PubChem ID:13186949
Update Time:2025-04-19

1H-Indole-3-carbonitrile,4-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-carbonitrile,4-hydroxy-
    • 3-CYANO-4-HYDROXYINDOLE
    • 4-hydroxy-1H-indole-3-carbonitrile
    • 1H-Indole-3-carbonitrile,4-hydroxy
    • 4-Hydroxy-3-indolecarbonitrile
    • SCHEMBL10569015
    • 4-hydroxy-3-cyanoindole
    • AKOS006284148
    • 81779-30-8
    • BRIMCGYNLLEMOA-UHFFFAOYSA-N
    • DTXSID60525865
    • Inchi: 1S/C9H6N2O/c10-4-6-5-11-7-2-1-3-8(12)9(6)7/h1-3,5,11-12H
    • InChI Key: BRIMCGYNLLEMOA-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC2=C1C(C#N)=CN2

Computed Properties

  • Exact Mass: 158.04800
  • Monoisotopic Mass: 158.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 220
  • 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: 1.4
  • Topological Polar Surface Area: 59.8?2

Experimental Properties

  • PSA: 59.81000
  • LogP: 1.74518
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