4-[(4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]-3-nitrobenzonitrile
Chemical Structure Depiction of
4-[(4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]-3-nitrobenzonitrile
4-[(4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]-3-nitrobenzonitrile
Compound characteristics
| Compound ID: | 3448-0326 |
| Compound Name: | 4-[(4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy]-3-nitrobenzonitrile |
| Molecular Weight: | 322.27 |
| Molecular Formula: | C17 H10 N2 O5 |
| Smiles: | CC1=CC(=O)Oc2ccc(cc12)Oc1ccc(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.713 |
| logD: | 2.713 |
| logSw: | -3.4924 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.617 |
| InChI Key: | PVYOAMQMNQMESL-UHFFFAOYSA-N |