1,5-Dihydroxynaphthalene | SBID = 218 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.8 | ||
| 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: | 126.7 | ||
| Sum Formula: | C10H8O2 | ||
| M / g/mol: | 160.172 | ||
| Complexity: | 140.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: 1,5-Dihydroxynaphthalene
- Preferred Abbreviation: 1,5-Dihydroxynaphthalene
- IUPAC Name: naphthalene-1,5-diol
- CAS: 83-56-7
- CID: 6749
- InChiKey: BOKGTLAJQHTOKE-UHFFFAOYSA-N
- InChi: InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
- CanoSmiles: C1=CC2=C(C=CC=C2O)C(=C1)O
- IsoSmiles: C1=CC2=C(C=CC=C2O)C(=C1)O
