for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
3,4,5-Trihydroxybenzamide is a phenolic antioxidant and fabric dye.
| Canonical Smiles | C1=C(C=C(C(=C1O)O)O)C(=O)N |
|---|---|
| IUPAC Name | 3,4,5-trihydroxybenzamide |
| InChIKey | RBQIPEJXQPQFJX-UHFFFAOYSA-N |
| INCHI | 1S/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12) |
| Isomeric SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)N |
| PubChem CID | 69256 |
| Molecular Weight | 169.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Benzenetriols and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrogallols and derivatives |
| Alternative Parents | Benzamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary carboxylic acid amides Polyols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzamide - Benzoic acid or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Polyol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrogallols and derivatives. These are compounds containing a 1,2,3-trihydroxybenzene moiety. |
| External Descriptors | Not available |
| Melt Point(°C) | 224-229° C (lit.) |
|---|---|
| Molecular Weight | 169.130 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 169.038 Da |
| Monoisotopic Mass | 169.038 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
