Jasmonic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:18292 | |
|---|---|---|
| ChEMBL: | CHEMBL449572 | |
| PubChem: | 5281166 | |
| IUPAC: | 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid | |
| Standard InChI: | InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 | |
| Standard InChI Key: | ZNJFBWYDHIGLCU-HWKXXFMVSA-N | |
| SMILES: | CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O | |
Molecular propeties
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| AlogP: | 2.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 1 | |
| Molecular Weight: | 210.13 | |
| Topological polar surface area: | 54.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 12 | |