3,4-Dimethoxybenzaldehyde
Representations & DB's id
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| ChEBI: | CHEBI:17098 | |
|---|---|---|
| ChEMBL: | CHEMBL1088937 | |
| PubChem: | 8419 | |
| IUPAC: | 3,4-dimethoxybenzaldehyde | |
| Standard InChI: | InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3 | |
| Standard InChI Key: | WJUFSDZVCOTFON-UHFFFAOYSA-N | |
| SMILES: | COc1cc(C=O)ccc1OC | |
Molecular propeties
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| AlogP: | 1.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 166.06 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |