2-Methyl-4-(3-nitrophenyl)-4-oxobutanoic acid
2-methyl-4-(3-nitrophenyl)-4-oxobutanoic acid
Also Known As: 2-Methyl-4-(3-nitrophenyl)-4-oxobutanoic acid|Propionic acid, 2-methyl-3-(m-nitrobenzoyl)-|2-Methyl-4-(3-nitrophenyl)-4-oxobutyric acid|3-(m-Nitrobenzoyl)-2-methylpropanoic acid|4-{3-nitrophenyl}-2-methyl-4-oxobutanoic acid|AE-562/12222005|2-methyl-4-(3'-nitrophenyl)-4-oxo-butanoic acid|2-Methyl-4-(3-nitrophenyl)-4-oxobutanoic acid #|.beta.(3-Nitrobenzoyl)-.alpha.-methylpropionic acid|Benzenebutanoic acid, .alpha.-methyl-3-nitro-.gamma.-oxo-
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06372 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 |
| Monoisotopic Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 34243-99-7 |
|---|---|
| SMILES | CC(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | USRRVEPWXBCMKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-4-(3-nitrophenyl)-4-oxobutanoic acid (CAS 34243-99-7), with molecular formula C11H11NO5 and molecular weight 237.06372 g/mol. IUPAC: 2-methyl-4-(3-nitrophenyl)-4-oxobutanoic acid.