3,5-Dihydroxy-2-[2-(4-hydroxyphenyl)acetyl]benzoic acid
PubChem CID: 71613896
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4210319, BDBM50537881 |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-2-[2-(4-hydroxyphenyl)acetyl]benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XCCUNCAQSGKMCC-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.76 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.861 |
| Compound Name | 3,5-Dihydroxy-2-[2-(4-hydroxyphenyl)acetyl]benzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1783381428571422 |
| Inchi | InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)5-12(18)14-11(15(20)21)6-10(17)7-13(14)19/h1-4,6-7,16-17,19H,5H2,(H,20,21) |
| Smiles | C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2O)O)C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fallopia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients