4-(3-Cyanophenyl)-2-methyl-4-oxobutanoic acid
4-(3-cyanophenyl)-2-methyl-4-oxobutanoic acid
Also Known As: 4-(3-Cyanophenyl)-2-methyl-4-oxobutanoic acid|4-(3-Cyanophenyl)-2-methyl-4-oxobutyric acid|Propionic acid, 3-(m-cyanobenzoyl)-2-methyl-|.beta.-(3-Cyanobenzoyl)-.alpha.-methylpropionic acid|4-(3-Cyanophenyl)-2-methyl-4-oxobutanoic acid #
CAS: 34243-97-5
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.0739 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 |
| Monoisotopic Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 34243-97-5 |
|---|---|
| SMILES | CC(CC(=O)C1=CC=CC(=C1)C#N)C(=O)O |
| InChIKey | IREPOFMLJUAJNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Product Overview
4-(3-Cyanophenyl)-2-methyl-4-oxobutanoic acid (CAS 34243-97-5), with molecular formula C12H11NO3 and molecular weight 217.0739 g/mol. IUPAC: 4-(3-cyanophenyl)-2-methyl-4-oxobutanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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