4-Hydroxyacetophenone
Representations & DB's id
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ChEBI: | CHEBI:28032 | |
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ChEMBL: | CHEMBL201083 | |
PubChem: | 7469 | |
IUPAC: | 1-(4-hydroxyphenyl)ethanone | |
Standard InChI: | InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3 | |
Standard InChI Key: | TXFPEBPIARQUIG-UHFFFAOYSA-N | |
SMILES: | CC(=O)c1ccc(cc1)O |
Molecular propeties
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AlogP: | 1.59 | |
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Hydrogen bonds acceptors: | 2 | |
Hydrogen bonds donors: | 1 | |
Rotatable bonds: | 1 | |
Number of rings: | 1 | |
Molecular Weight: | 136.05 | |
Topological polar surface area: | 37.3 | |
Number of aromatic rings: | 1 | |
Fsp3: | 0.125 | |
Number of carbons: | 8 |