rel-(1R,4S)-3-{[(prop-2-yn-1-yl)oxy]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
rel-(1R,4S)-3-{[(prop-2-yn-1-yl)oxy]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
rel-(1R,4S)-3-{[(prop-2-yn-1-yl)oxy]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | 8010-0947 |
| Compound Name: | rel-(1R,4S)-3-{[(prop-2-yn-1-yl)oxy]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 220.22 |
| Molecular Formula: | C12 H12 O4 |
| Smiles: | C#CCOC(C1C(C(O)=O)[C@H]2C[C@@H]1C=C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.406 |
| logD: | -1.2388 |
| logSw: | -1.2923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.539 |
| InChI Key: | MVLXYYBXGPWHBX-DKEVHCRPSA-N |