Pyrogallol
CAS: 87-66-1
| 1 | pyrogallol |
| 2 | benzene-1,2,3-triol |
| 3 | 1,2,3-trihydroxybenzene |
| 4 | pyrogallic acid |
| 5 | 1,2,3-benzenetriol |
Pyrogallol is a benzenetriol carrying hydroxy groups at positions 1, 2 and 3. It has a role as a plant metabolite. It is a phenolic donor and a benzenetriol.
| Molecular Formula | C6H6O3 |
|---|---|
| Canonical SMILES | C1=CC(=C(C(=C1)O)O)O |
| Isomeric SMILES | C1=CC(=C(C(=C1)O)O)O |
| Molecular Weight | 126.1100 |
| InChIKey | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H |
| XLogP | 0.5000 |
| ExactMass | 126.0317 |
| MonoisotopicMass | 126.0317 |
| TPSA | 60.7000 |
| Complexity | 84.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 120426 |
| PatentFamilyCount | 52101 |
| LiteratureCount | 10158 |