4-(1H-tetrazol-1-yl)phenyl 2-methylpropanoate
Chemical Structure Depiction of
4-(1H-tetrazol-1-yl)phenyl 2-methylpropanoate
4-(1H-tetrazol-1-yl)phenyl 2-methylpropanoate
Compound characteristics
| Compound ID: | D453-0605 |
| Compound Name: | 4-(1H-tetrazol-1-yl)phenyl 2-methylpropanoate |
| Molecular Weight: | 232.24 |
| Molecular Formula: | C11 H12 N4 O2 |
| Smiles: | CC(C)C(=O)Oc1ccc(cc1)n1cnnn1 |
| Stereo: | ACHIRAL |
| logP: | 2.118 |
| logD: | 2.118 |
| logSw: | -2.5763 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.653 |
| InChI Key: | CVGBZFSUDOEPSX-UHFFFAOYSA-N |