5-(hydroxymethyl)-7'-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
5-(hydroxymethyl)-7'-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
5-(hydroxymethyl)-7'-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8016-9421 |
| Compound Name: | 5-(hydroxymethyl)-7'-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 294.26 |
| Molecular Formula: | C13 H14 N2 O6 |
| Smiles: | Cc1cccc2c1NC(C21OCC(CO)(CO1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.71 |
| logD: | 0.7099 |
| logSw: | -2.253 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.845 |
| InChI Key: | UZQOJIYHYMJLLX-UHFFFAOYSA-N |