Anthraquinone-2-Carboxylic Acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL455581 | |
| PubChem: | 67030 | |
| IUPAC: | 9,10-dioxoanthracene-2-carboxylic acid | |
| Standard InChI: | InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19) | |
| Standard InChI Key: | ASDLSKCKYGVMAI-UHFFFAOYSA-N | |
| SMILES: | O=C1c2cc(ccc2C(=O)c2c1cccc2)C(=O)O | |
Molecular propeties
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| AlogP: | 2.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 252.04 | |
| Topological polar surface area: | 71.4 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |