3-Cyanophenol | SBID = 280 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 44.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.7 | ||
| 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: | 97.1 | ||
| Sum Formula: | C7H5NO | ||
| M / g/mol: | 119.123 | ||
| Complexity: | 135.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 3-Cyanophenol
- Preferred Abbreviation: 3-Cyanophenol
- IUPAC Name: 3-hydroxybenzonitrile
- CAS: 873-62-1
- CID: 13394
- InChiKey: SGHBRHKBCLLVCI-UHFFFAOYSA-N
- InChi: InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
- CanoSmiles: C1=CC(=CC(=C1)O)C#N
- IsoSmiles: C1=CC(=CC(=C1)O)C#N
