3-(dodeca-1,3-diyn-1-yl)benzoic acid
Chemical Structure Depiction of
3-(dodeca-1,3-diyn-1-yl)benzoic acid
3-(dodeca-1,3-diyn-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8014-6776 |
| Compound Name: | 3-(dodeca-1,3-diyn-1-yl)benzoic acid |
| Molecular Weight: | 282.38 |
| Molecular Formula: | C19 H22 O2 |
| Smiles: | CCCCCCCCC#CC#Cc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1636 |
| logD: | 3.3209 |
| logSw: | -5.6085 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.6465 |
| InChI Key: | XWFNJAKOIGKFPQ-UHFFFAOYSA-N |