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 |