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≥97% 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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C3=C(C=CC(=C3)C(=O)O)C(=O)C2=O |
|---|---|
| IUPAC Name | 9,10-dioxophenanthrene-3-carboxylic acid |
| InChIKey | DKIFEYAEWKRYFT-UHFFFAOYSA-N |
| INCHI | 1S/C15H8O4/c16-13-10-4-2-1-3-9(10)12-7-8(15(18)19)5-6-11(12)14(13)17/h1-7H,(H,18,19) |
| Isómeros SMILES | C1=CC=C2C(=C1)C3=C(C=CC(=C3)C(=O)O)C(=O)C2=O |
| PubChem CID | 19350328 |
| Peso molecular | 252.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenanthrenes and derivatives |
| Subclass | Phenanthraquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthraquinones |
| Alternative Parents | Hydrophenanthrenes Naphthalenecarboxylic acids O-quinones Aryl ketones Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenanthraquinone - Hydrophenanthrene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Naphthalene - Aryl ketone - O-quinone - Quinone - Ketone - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenanthraquinones. These are phenanthrene derivatives containing two ketone groups at position C9 and C10, respectively. |
| External Descriptors | Not available |
| Peso molecular | 252.220 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 252.042 Da |
| Monoisotopic Mass | 252.042 Da |
| Topological Polar Surface Area | 71.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 428.000 |
| 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 |