propan-2-yl 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate
propan-2-yl 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | Y510-5030 |
| Compound Name: | propan-2-yl 7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylate |
| Molecular Weight: | 267.24 |
| Molecular Formula: | C12 H13 N O6 |
| Smiles: | CC(C)OC(c1cc2c(cc1[N+]([O-])=O)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5071 |
| logD: | 1.5071 |
| logSw: | -2.0338 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.575 |
| InChI Key: | PILNLSMPOFEWAT-UHFFFAOYSA-N |