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phenoxide | SBID = 2405 | Compound |
Structure
Molecular Properties
| Interactions: | 7 | ||
| PubChem TPSA/Å2: | 23.1 | ||
| Ertl TPSA/Å2: | 23.06 | ||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| Hydrophilicity (Cheng XLogP3): | 1.46 | ||
| Charge: | -1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 78.8 | ||
| Sum Formula: | C6H5O- | ||
| M / g/mol: | 93.1 | ||
| Complexity: | 46.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: phenoxide
- Preferred Abbreviation: phenolate BzO-
- IUPAC Name: phenoxide
- CAS:
- CID: 119047
- InChiKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-M
- InChi: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1
- CanoSmiles: C1=CC=C(C=C1)[O-]
- IsoSmiles: C1=CC=C(C=C1)[O-]
