2-Anthraquinonecarboxylic acid, 4-hydroxy-
PubChem CID: 179447
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| Compound Synonyms | Pachybasic acid, 2-Anthraquinonecarboxylic acid, 4-hydroxy-, 25186-77-0, DTXSID90179855, SCHEMBL8197780, CHEMBL3884123, 4-hydroxy-2-carboxyanthraquinone, DTXCID50102346 |
|---|---|
| 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 | 4-hydroxy-9,10-dioxoanthracene-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICBHXKIMYNFEIB-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.724 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.016 |
| Compound Name | 2-Anthraquinonecarboxylic acid, 4-hydroxy- |
| 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 | -3.7962391999999996 |
| Inchi | InChI=1S/C15H8O5/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,16H,(H,19,20) |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=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