2,6-Dihydroxynaphthalene | SBID = 68 | Compound |
Structure
Molecular Properties
| Interactions: | 21 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| 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: | 127.2 | ||
| Sum Formula: | C10H8O2 | ||
| M / g/mol: | 160.172 | ||
| Complexity: | 140.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 2,6-Dihydroxynaphthalene
- Preferred Abbreviation: 2,6-Dihydroxynaphthalene
- IUPAC Name: naphthalene-2,6-diol
- CAS: 581-43-1
- CID: 93552
- InChiKey: MNZMMCVIXORAQL-UHFFFAOYSA-N
- InChi: InChI=1S/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H
- CanoSmiles: C1=CC2=C(C=CC(=C2)O)C=C1O
- IsoSmiles: C1=CC2=C(C=CC(=C2)O)C=C1O
