| Phytochemical Name : 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid |
| PCNDIDOT1020 |
| Pubchem CID : 5315688 |
| Molecular formula: C11H8O5 |
| Canonical SMILES : CC1=CC(=O)C2=C(C=C(C=C2O1)O)C(=O)O |
Synonymes : 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid|7-hydroxy-2-methyl-4-oxochromene-5-carboxylic acid|CHEBI:178387|7-hydroxy-2-methyl-4-oxo-4H-chromene-5-carboxylic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.190 |
| Log Po/w (XLOGP3) : 1.590 |
| Log Po/w (WLOGP) : 1.510 |
| Log Po/w (MLOGP) : 0.140 |
| Log Po/w (SILICOS-IT) : 1.800 |
| Consensus Log Po/w : 1.240 |