Cuminaldehyde
Representations & DB's id
| ||
| ChEBI: | CHEBI:28671 | |
|---|---|---|
| ChEMBL: | CHEMBL161577 | |
| PubChem: | 326 | |
| IUPAC: | 4-propan-2-ylbenzaldehyde | |
| Standard InChI: | InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 | |
| Standard InChI Key: | WTWBUQJHJGUZCY-UHFFFAOYSA-N | |
| SMILES: | O=Cc1ccc(cc1)C(C)C | |
Molecular propeties
| ||
| AlogP: | 2.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 148.09 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |