Acetosyringone
Representations & DB's id
| ||
| ChEBI: | CHEBI:2404 | |
|---|---|---|
| ChEMBL: | CHEMBL224146 | |
| PubChem: | 17198 | |
| IUPAC: | 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone | |
| Standard InChI: | InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3 | |
| Standard InChI Key: | OJOBTAOGJIWAGB-UHFFFAOYSA-N | |
| SMILES: | COc1cc(cc(c1O)OC)C(=O)C | |
Molecular propeties
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| AlogP: | 1.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 196.07 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |