Diethyl 2-(2-nitro-1-phenylethyl)malonate
diethyl 2-(2-nitro-1-phenylethyl)propanedioate
Also Known As: diethyl 2-(2-nitro-1-phenylethyl)malonate|Baclofen impurity 43|1,3-diethyl 2-(2-nitro-1-phenylethyl)propanedioate|diethyl 2-(2-nitro-1-phenylethyl)propanedioate|propanedioicacid,2-,1,3-diethylester|MS-2052|KS-0000282A|Propanedioic acid, 2-(2-nitro-1-phenylethyl)-, 1,3-diethyl ester|Diethyl (2-nitro-1-phenylethyl)propanedioate|diethyl 2-(2-nitro-1-phenyl-ethyl)propanedioate|J2.083.999F|PROPANEDIOICACID,2- -,1,3-DIETHYLESTER|(1-Phenyl-2-nitroethyl)malonic acid diethyl ester|1,3-diethyl2-(2-nitro-1-phenylethyl)propanedioate|SR-01000308401-1|2-(2-Nitro-1-phenylethyl)malonic acid diethyl ester|2-[alpha-(Nitromethyl)benzyl]malonic acid diethyl ester|2-(2-Nitro-1-phenylethyl)propanedioic acid diethyl ester
| Molecular Formula | C15H19NO6 |
|---|---|
| Molecular Weight | 309.12125 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.12125 |
| Monoisotopic Mass | 309.12125 |
| Heavy Atoms | 22 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 22975-21-9 |
|---|---|
| SMILES | CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)C(=O)OCC |
| InChIKey | VQKSJEVJSPWVIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(2-nitro-1-phenylethyl)malonate (CAS 22975-21-9), with molecular formula C15H19NO6 and molecular weight 309.12125 g/mol. IUPAC: diethyl 2-(2-nitro-1-phenylethyl)propanedioate.