methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
Chemical Structure Depiction of
methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate
Compound characteristics
| Compound ID: | 8018-3909 |
| Compound Name: | methyl 2-acetyl-3-(3,4-dimethoxyphenyl)-4-nitrobutanoate |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C15 H19 N O7 |
| Smiles: | CC(C(C(C[N+]([O-])=O)c1ccc(c(c1)OC)OC)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1434 |
| logD: | -1.1285 |
| logSw: | -2.267 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.148 |
| InChI Key: | UHBZYRRWWAZFKP-UHFFFAOYSA-N |