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 | 
 
				 
				