O-Coumaric Acid
Representations & DB's id
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| ChEBI: | CHEBI:18125 | |
|---|---|---|
| ChEMBL: | CHEMBL52564 | |
| PubChem: | 637540 | |
| IUPAC: | (E)-3-(2-hydroxyphenyl)prop-2-enoic acid | |
| Standard InChI: | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ | |
| Standard InChI Key: | PMOWTIHVNWZYFI-AATRIKPKSA-N | |
| SMILES: | OC(=O)/C=C/c1ccccc1O | |
Molecular propeties
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| AlogP: | 1.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 164.05 | |
| Topological polar surface area: | 57.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 9 | |