3-butyl-7-hydroxy-4,8-dimethyl-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-butyl-7-hydroxy-4,8-dimethyl-6-nitro-2H-1-benzopyran-2-one
3-butyl-7-hydroxy-4,8-dimethyl-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8010-4490 |
| Compound Name: | 3-butyl-7-hydroxy-4,8-dimethyl-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 291.3 |
| Molecular Formula: | C15 H17 N O5 |
| Smiles: | CCCCC1=C(C)c2cc(c(c(C)c2OC1=O)O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4623 |
| logD: | 3.4196 |
| logSw: | -4.4157 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.404 |
| InChI Key: | PSNFWPCXKUBHGV-UHFFFAOYSA-N |