4-Acetylbenzoic Acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL130010 | |
| PubChem: | 11470 | |
| IUPAC: | 4-acetylbenzoic acid | |
| Standard InChI: | InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12) | |
| Standard InChI Key: | QBHDSQZASIBAAI-UHFFFAOYSA-N | |
| SMILES: | CC(=O)c1ccc(cc1)C(=O)O | |
Molecular propeties
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| AlogP: | 1.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.05 | |
| Topological polar surface area: | 54.4 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.111 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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