4-(3-nitrophenyl)-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(3-nitrophenyl)-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
4-(3-nitrophenyl)-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7387 |
| Compound Name: | 4-(3-nitrophenyl)-7-(2-oxopropoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 339.3 |
| Molecular Formula: | C18 H13 N O6 |
| Smiles: | CC(COc1ccc2C(=CC(=O)Oc2c1)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2998 |
| logD: | 2.2998 |
| logSw: | -3.0232 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.59 |
| InChI Key: | AKOXIUKCNHVCSQ-UHFFFAOYSA-N |