2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one
Chemical Structure Depiction of
2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one
2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one
Compound characteristics
| Compound ID: | P160-0037 |
| Compound Name: | 2-acetyl-3-hydroxy-6-nitro-1H-inden-1-one |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C11 H7 N O5 |
| Smiles: | CC(C1=C(c2ccc(cc2C1=O)[N+]([O-])=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0411 |
| logD: | -1.0809 |
| logSw: | -2.5157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.951 |
| InChI Key: | XPVYUNWRDXZCIA-UHFFFAOYSA-N |