Ethyl 3,4-Dihydroxybenzoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL486216 | |
| PubChem: | 77547 | |
| IUPAC: | ethyl 3,4-dihydroxybenzoate | |
| Standard InChI: | InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3 | |
| Standard InChI Key: | KBPUBCVJHFXPOC-UHFFFAOYSA-N | |
| SMILES: | CCOC(=O)c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.27 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 182.06 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |