Pyrogallol Red
2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonic acid
Also Known As: Pyrogallol Red|Pyrogallolsulfonephthalein|PYROGALLOSULFONPHTHALEIN|1,2,3-BENZENETRIOL RED|J3.631.230K|2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonic acid|2-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)benzenesulfonic acid|2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzenesulfonic acid|Benzenesulfonic acid, 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-|2-(4,5,6-trihydroxy-3-oxoxanthen-9-yl)benzenesulfonic acid|2-(3-Oxo-4,5,6-trihydroxy-3H-xanthene-9-yl)benzenesulfonic acid|2-(4,5,6-Trihydroxy-3-oxo-3H-xanthene-9-yl)benzenesulfonic acid|2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzene-1-sulfonic acid
| Molecular Formula | C19H12O8S |
|---|---|
| Molecular Weight | 400.0253 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.0253 |
| Monoisotopic Mass | 400.0253 |
| Heavy Atoms | 28 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 3172-49-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)S(=O)(=O)O |
| InChIKey | JTZKNOUMMWIARI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrogallol Red (CAS 3172-49-4), with molecular formula C19H12O8S and molecular weight 400.0253 g/mol. IUPAC: 2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonic acid.
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