4-Methoxycinnamic Acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL95770 | |
| PubChem: | 699414 | |
| IUPAC: | (E)-3-(4-methoxyphenyl)prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ | |
| Standard InChI Key: | AFDXODALSZRGIH-QPJJXVBHSA-N | |
| SMILES: | COc1ccc(cc1)/C=C/C(=O)O | |
Molecular propeties
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| AlogP: | 1.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 178.06 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.1 | |
| Number of carbons: | 10 | |