3-Hydroxybenzoate
PubChem CID: 54675842
Connections displayed (default: 10).
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| Compound Synonyms | 3-Hydroxybenzoate, Benzoic acid, 3-hydroxy-, ion(1-), 10476-50-3, CHEBI:16193, DTXSID501299499, Q27098580 |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-carboxyphenolate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C7H5O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | IJFXRHURBJZNAO-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Logs | -1.201 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.424 |
| Compound Name | 3-Hydroxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 137.024 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 137.024 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 137.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0131068 |
| Inchi | InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)/p-1 |
| Smiles | C1=CC(=CC(=C1)[O-])C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Anomala (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Typha Angustata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients