| Sonrisas canónicas | CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O |
|---|---|
| IUPAC Name | 5-acetyloxy-4-hydroxy-9,10-dioxoanthracene-2-carboxylic acid |
| InChIKey | YBGHQNHYFJYUHT-UHFFFAOYSA-N |
| INCHI | 1S/C17H10O7/c1-7(18)24-12-4-2-3-9-14(12)16(21)13-10(15(9)20)5-8(17(22)23)6-11(13)19/h2-6,19H,1H3,(H,22,23) |
| Isómeros SMILES | CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O |
| PubChem CID | 9967100 |
| Peso molecular | 326.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Anthracenes |
| Subclass | Anthracenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthracenecarboxylic acids |
| Alternative Parents | Anthraquinones Naphthalenecarboxylic acids Hydroxybenzoic acid derivatives Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Anthracene carboxylic acid - 9,10-anthraquinone - Anthraquinone - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Hydroxybenzoic acid - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dicarboxylic acid or derivatives - Vinylogous acid - Carboxylic acid ester - Ketone - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. |
| External Descriptors | Not available |
| Peso molecular | 326.260 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 326.043 Da |
| Monoisotopic Mass | 326.043 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 583.000 |
| 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 |
