5-(4-Chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic acid
5-(4-chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic acid
Also Known As: 5-(4-chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic acid
CAS: 6949-90-2
| Molecular Formula | C18H14ClNO3 |
|---|---|
| Molecular Weight | 327.06622 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.06622 |
| Monoisotopic Mass | 327.06622 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 6949-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(C#N)C(=O)O |
| InChIKey | VTPFOBYLRFEMIP-UHFFFAOYSA-N |
Product Overview
5-(4-Chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic acid (CAS 6949-90-2), with molecular formula C18H14ClNO3 and molecular weight 327.06622 g/mol. IUPAC: 5-(4-chlorophenyl)-2-cyano-5-oxo-3-phenylpentanoic 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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