2-{[(2-methylbut-3-yn-2-yl)oxy]carbonyl}benzoic acid
Chemical Structure Depiction of
2-{[(2-methylbut-3-yn-2-yl)oxy]carbonyl}benzoic acid
2-{[(2-methylbut-3-yn-2-yl)oxy]carbonyl}benzoic acid
Compound characteristics
| Compound ID: | 8009-8264 |
| Compound Name: | 2-{[(2-methylbut-3-yn-2-yl)oxy]carbonyl}benzoic acid |
| Molecular Weight: | 232.23 |
| Molecular Formula: | C13 H12 O4 |
| Smiles: | CC(C)(C#C)OC(c1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7872 |
| logD: | -2.2792 |
| logSw: | -2.082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.393 |
| InChI Key: | JIYFYNDLUWNHFQ-UHFFFAOYSA-N |