benzene-1,3,5-triol | SBID = 379 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 60.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 95.2 | ||
| Sum Formula: | C6H6O3 | ||
| M / g/mol: | 126.111 | ||
| Complexity: | 63.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, drug, typical guest
- Name: benzene-1,3,5-triol
- Preferred Abbreviation: Phloroglucinol
- IUPAC Name: benzene-1,3,5-triol
- CAS: 108-73-6
- CID: 359
- InChiKey: QCDYQQDYXPDABM-UHFFFAOYSA-N
- InChi: InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
- CanoSmiles: C1=C(C=C(C=C1O)O)O
- IsoSmiles: C1=C(C=C(C=C1O)O)O
