Showing Metabocard for benzyl 2-methyl-3-oxobutanoate (BASm0000514)
| Common Name | Benzyl 2-methyl-3-oxobutanoate |
|---|---|
| Description | A benzyl ester obtained by the formal condensation of the carboxy group of 2-methylacetoacetic acid with the hydroxy group of benzyl alcohol. |
| Structure | |
| Molecular Formula | Not Available |
| Average Mass | 206.23780 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(=O)C(C)C(=O)OCc1ccccc1 |
| InChI Identifier | InChI=1S/C12H14O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3 |
| InChI Key | OKNHVWOSKITDKX-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:16079 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Polarizability | Not Available |