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 | 
 
				 
				