5-(hydroxymethyl)-1'-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
5-(hydroxymethyl)-1'-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
5-(hydroxymethyl)-1'-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8011-5652 |
| Compound Name: | 5-(hydroxymethyl)-1'-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 294.26 |
| Molecular Formula: | C13 H14 N2 O6 |
| Smiles: | CN1C(C2(c3ccccc13)OCC(CO)(CO2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5136 |
| logD: | 0.5136 |
| logSw: | -2.1154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.36 |
| InChI Key: | FTDHIAMPZIODPX-UHFFFAOYSA-N |