1,2-Dihydroxybenzene | SBID = 46 | Compound |
Structure
Molecular Properties
| Interactions: | 17 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| 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: | 86.9 | ||
| Sum Formula: | C6H6O2 | ||
| M / g/mol: | 110.112 | ||
| Complexity: | 62.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 1,2-Dihydroxybenzene
- Preferred Abbreviation: Pyrocatechol
- IUPAC Name: benzene-1,2-diol
- CAS: 120-80-9
- CID: 289
- InChiKey: YCIMNLLNPGFGHC-UHFFFAOYSA-N
- InChi: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
- CanoSmiles: C1=CC=C(C(=C1)O)O
- IsoSmiles: C1=CC=C(C(=C1)O)O
