2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzoic acid
Also Known As: 2-(4,5,6-trihydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid|2-(4,5,6-TRIHYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID|4783AE|2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzoic acid|Z-0834|2-(4,5,6-trihydroxy-3-oxoxanthen-9-yl)benzoic acid|I01-16134|2-(4,5,6-trihydroxy-3-oxo-3h-xanthen-9-yl)benzoicacid|Benzoic acid, 2- (4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-|Benzoic acid,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-|621-201-5
| Molecular Formula | C20H12O7 |
|---|---|
| Molecular Weight | 364.0583 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.0583 |
| Monoisotopic Mass | 364.0583 |
| Heavy Atoms | 27 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 5216-22-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)C(=O)O |
| InChIKey | QCGYJIWVJKJCCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid (CAS 5216-22-8), with molecular formula C20H12O7 and molecular weight 364.0583 g/mol. IUPAC: 2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzoic acid.
2-(4,5,6-Trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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