3,4-Dihydroxy-5-(2-hydroxyethyl)benzoic acid
PubChem CID: 163047053
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| Topological Polar Surface Area | 98.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dihydroxy-5-(2-hydroxyethyl)benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C9H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVMCCGNRGCWDBI-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -0.989 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.001 |
| Compound Name | 3,4-Dihydroxy-5-(2-hydroxyethyl)benzoic 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 | -1.3768720571428568 |
| Inchi | InChI=1S/C9H10O5/c10-2-1-5-3-6(9(13)14)4-7(11)8(5)12/h3-4,10-12H,1-2H2,(H,13,14) |
| Smiles | C1=C(C=C(C(=C1CCO)O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients