4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione
Chemical Structure Depiction of
4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione
4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione
Compound characteristics
| Compound ID: | 8016-4495 |
| Compound Name: | 4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-2,5-dione |
| Molecular Weight: | 381.3 |
| Molecular Formula: | C19 H11 N O8 |
| Smiles: | C1C(C2=C(c3ccccc3OC2=O)OC1=O)c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.559 |
| logD: | 2.559 |
| logSw: | -3.4203 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.976 |
| InChI Key: | HCHHFQGGCLGOIX-NSHDSACASA-N |