2,5-Dihydroxybenzoate
PubChem CID: 54675839
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| Compound Synonyms | 2,5-Dihydroxybenzoate, 5-hydroxysalicylate, 490-80-2, Hydroquinonecarboxylate, Benzoic acid, 2,5-dihydroxy-, ion(1-), 2-carboxy-4-hydroxyphenolate, 4e3d, 2,5-dihydroxybenzoate anion, CHEBI:58044, DTXSID30197659, WXTMDXOMEHJXQO-UHFFFAOYSA-M, STL301901, AKOS022141719, Q27125148 |
|---|---|
| Topological Polar Surface Area | 80.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-carboxy-4-hydroxyphenolate |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C7H5O4- |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXTMDXOMEHJXQO-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Logs | -1.635 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.123 |
| Compound Name | 2,5-Dihydroxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 153.019 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 153.019 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 153.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2231369636363634 |
| Inchi | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/p-1 |
| Smiles | C1=CC(=C(C=C1O)C(=O)O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Lutea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypericum Degenii (Plant) Rel Props:Source_db:cmaup_ingredients