7,7-dimethyl-4-(4-nitrophenyl)-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Chemical Structure Depiction of
7,7-dimethyl-4-(4-nitrophenyl)-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
7,7-dimethyl-4-(4-nitrophenyl)-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione
Compound characteristics
| Compound ID: | 8016-4688 |
| Compound Name: | 7,7-dimethyl-4-(4-nitrophenyl)-4,6,7,8-tetrahydro-2H-1-benzopyran-2,5(3H)-dione |
| Molecular Weight: | 315.32 |
| Molecular Formula: | C17 H17 N O5 |
| Smiles: | CC1(C)CC2=C(C(CC(=O)O2)c2ccc(cc2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6244 |
| logD: | 2.6244 |
| logSw: | -3.0071 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.064 |
| InChI Key: | LISDJFGTPKQELX-LBPRGKRZSA-N |