1,3-Dihydroxybenzene | SBID = 344 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.8 | ||
| 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: | 87.1 | ||
| Sum Formula: | C6H6O2 | ||
| M / g/mol: | 110.112 | ||
| Complexity: | 64.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 1,3-Dihydroxybenzene
- Preferred Abbreviation: Resorcinol
- IUPAC Name: benzene-1,3-diol
- CAS: 108-46-3
- CID: 5054
- InChiKey: GHMLBKRAJCXXBS-UHFFFAOYSA-N
- InChi: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
- CanoSmiles: C1=CC(=CC(=C1)O)O
- IsoSmiles: C1=CC(=CC(=C1)O)O
