4-Methylbenzaldehyde
Representations & DB's id
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| ChEBI: | CHEBI:28617 | |
|---|---|---|
| ChEMBL: | CHEMBL190927 | |
| PubChem: | 7725 | |
| IUPAC: | 4-methylbenzaldehyde | |
| Standard InChI: | InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 | |
| Standard InChI Key: | FXLOVSHXALFLKQ-UHFFFAOYSA-N | |
| SMILES: | O=Cc1ccc(cc1)C | |
Molecular propeties
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| AlogP: | 1.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 120.06 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 8 | |