4-Cyanophenol | SBID = 342 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 3
PubChem TPSA/Å2: 44.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.6
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 96.7
Sum Formula: C7H5NO
M / g/mol: 119.123
Complexity: 127.0
Number of Conformers: 1.0

Identifiers

  • Tags:
  • Name: 4-Cyanophenol
  • Preferred Abbreviation: 4-Cyanophenol
  • IUPAC Name: 4-hydroxybenzonitrile
  • CAS: 767-00-0
  • CID: 13019
  • InChiKey: CVNOWLNNPYYEOH-UHFFFAOYSA-N
  • InChi: InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
  • CanoSmiles: C1=CC(=CC=C1C#N)O
  • IsoSmiles: C1=CC(=CC=C1C#N)O