Ethyl Vanillin
Representations & DB's id
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| ChEBI: | CHEBI:48408 | |
|---|---|---|
| ChEMBL: | CHEMBL508676 | |
| PubChem: | 8467 | |
| IUPAC: | 3-ethoxy-4-hydroxybenzaldehyde | |
| Standard InChI: | InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 | |
| Standard InChI Key: | CBOQJANXLMLOSS-UHFFFAOYSA-N | |
| SMILES: | CCOc1cc(C=O)ccc1O | |
Molecular propeties
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| AlogP: | 1.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 166.06 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |