4-hydroxy-6-methyl-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-pyran-2-one
Chemical Structure Depiction of
4-hydroxy-6-methyl-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-pyran-2-one
4-hydroxy-6-methyl-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-pyran-2-one
Compound characteristics
| Compound ID: | Y501-2610 |
| Compound Name: | 4-hydroxy-6-methyl-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]-2H-pyran-2-one |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C13 H12 N2 O4 |
| Smiles: | CC1=CC(=C(C(/C=C/c2cnn(C)c2)=O)C(=O)O1)O |
| Stereo: | ACHIRAL |
| logP: | 0.2698 |
| logD: | -5.0867 |
| logSw: | -0.2233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.927 |
| InChI Key: | IXUKWPITDYLDFI-UHFFFAOYSA-N |