methyl 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxobutanoate
Chemical Structure Depiction of
methyl 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxobutanoate
methyl 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxobutanoate
Compound characteristics
| Compound ID: | Y070-0353 |
| Compound Name: | methyl 2-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-3-oxobutanoate |
| Molecular Weight: | 315.28 |
| Molecular Formula: | C16 H13 N O6 |
| Smiles: | CC(/C(=C\c1ccc(c2ccccc2[N+]([O-])=O)o1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6693 |
| logD: | 2.6693 |
| logSw: | -3.2849 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.889 |
| InChI Key: | GIXABAZZZKEPKT-UHFFFAOYSA-N |