Methyl Benzoate
Representations & DB's id
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| ChEBI: | CHEBI:72775 | |
|---|---|---|
| ChEMBL: | CHEMBL16435 | |
| PubChem: | 7150 | |
| IUPAC: | methyl benzoate | |
| Standard InChI: | InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 | |
| Standard InChI Key: | QPJVMBTYPHYUOC-UHFFFAOYSA-N | |
| SMILES: | COC(=O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 1.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 136.05 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 8 | |