7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate
Chemical Structure Depiction of
7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate
7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 2953-0002 |
| Compound Name: | 7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate |
| Molecular Weight: | 271.23 |
| Molecular Formula: | C14 H9 N O5 |
| Smiles: | C1=CC=C(C(C=C1)=O)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3337 |
| logD: | 2.3337 |
| logSw: | -2.6684 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.459 |
| InChI Key: | FYMMOYJRZNRRAT-UHFFFAOYSA-N |