4-Cyanophenol | SBID = 342 | Compound |
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
