1-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
PubChem CID: 235576
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| Compound Synonyms | 1-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, 7400-93-3, NSC37130, 1-Hydroxy-2-carboxyanthrachinon, SCHEMBL11411791, DTXSID00913308, NSC-37130, STL512523, AKOS030488285, AF-399/11786134, 1-hydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid |
|---|---|
| Topological Polar Surface Area | 91.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 457.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-9,10-dioxoanthracene-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUNHZSKWJIXMCA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.423 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.089 |
| Compound Name | 1-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 268.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5064392 |
| Inchi | InChI=1S/C15H8O5/c16-12-7-3-1-2-4-8(7)13(17)11-9(12)5-6-10(14(11)18)15(19)20/h1-6,18H,(H,19,20) |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients