4-(3-Carboxy-2-Hydroxy-4-Methoxy-6-Methylbenzoyl)Oxy-2-Hydroxy-3,6-Dimethylbenzoic Acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1730581 | |
| PubChem: | 5321482 | |
| IUPAC: | 4-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid | |
| Standard InChI: | InChI=1S/C19H18O9/c1-7-5-10(9(3)15(20)12(7)17(22)23)28-19(26)13-8(2)6-11(27-4)14(16(13)21)18(24)25/h5-6,20-21H,1-4H3,(H,22,23)(H,24,25) | |
| Standard InChI Key: | WCWYEXBIRSSVGF-UHFFFAOYSA-N | |
| SMILES: | COc1cc(C)c(c(c1C(=O)O)O)C(=O)Oc1cc(C)c(c(c1C)O)C(=O)O | |
Molecular propeties
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| AlogP: | 2.65 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 390.1 | |
| Topological polar surface area: | 151 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.211 | |
| Number of carbons: | 19 | |