4-Hydroxy-2,6-Dimethoxybenzoic Acid
PubChem CID: 22616650
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-hydroxy-2,6-dimethoxybenzoic acid, 84741-02-6, DTXSID20626963, Benzoic acid, 4-hydroxy-2,6-dimethoxy-, CHEMBL504944, SCHEMBL7718116, 4-Hydroxy-2,6-dimethoxybenzoate, DTXCID90577716, AKOS006272182, 2,6-dimethoxy-4-hydroxyl benzoic acid, AG-690/32524052 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-2,6-dimethoxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C9H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HIVSALLSJIAQQF-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.036 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.175 |
| Compound Name | 4-Hydroxy-2,6-Dimethoxybenzoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 198.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2130720571428568 |
| Inchi | InChI=1S/C9H10O5/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4,10H,1-2H3,(H,11,12) |
| Smiles | COC1=CC(=CC(=C1C(=O)O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all