2-{[(prop-2-yn-1-yl)oxy]carbonyl}benzoic acid
Chemical Structure Depiction of
2-{[(prop-2-yn-1-yl)oxy]carbonyl}benzoic acid
2-{[(prop-2-yn-1-yl)oxy]carbonyl}benzoic acid
Compound characteristics
Compound ID: | 8004-4880 |
Compound Name: | 2-{[(prop-2-yn-1-yl)oxy]carbonyl}benzoic acid |
Molecular Weight: | 204.18 |
Molecular Formula: | C11 H8 O4 |
Smiles: | C#CCOC(c1ccccc1C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.4519 |
logD: | -2.6145 |
logSw: | -1.8506 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.694 |
InChI Key: | BEWCAUPONZLPFD-UHFFFAOYSA-N |