2-{[(octan-2-yl)oxy]carbonyl}benzoic acid
Chemical Structure Depiction of
2-{[(octan-2-yl)oxy]carbonyl}benzoic acid
2-{[(octan-2-yl)oxy]carbonyl}benzoic acid
Compound characteristics
| Compound ID: | 0074-0027 |
| Compound Name: | 2-{[(octan-2-yl)oxy]carbonyl}benzoic acid |
| Molecular Weight: | 278.35 |
| Molecular Formula: | C16 H22 O4 |
| Smiles: | CCCCCCC(C)OC(c1ccccc1C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3994 |
| logD: | 0.333 |
| logSw: | -4.3217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.962 |
| InChI Key: | DUJBEEUYBSLMGM-LBPRGKRZSA-N |