4-methyl-6-nitro-2-oxo-2H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-methyl-6-nitro-2-oxo-2H-1-benzopyran-3-carbonitrile
4-methyl-6-nitro-2-oxo-2H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-9677 |
| Compound Name: | 4-methyl-6-nitro-2-oxo-2H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 230.18 |
| Molecular Formula: | C11 H6 N2 O4 |
| Smiles: | CC1=C(C#N)C(=O)Oc2ccc(cc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.89 |
| logD: | 1.89 |
| logSw: | -2.6853 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.598 |
| InChI Key: | UVKJJGXSEVNIBC-UHFFFAOYSA-N |