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Methyl 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoate
methyl 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoate
Also Known As: methyl 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoate|Benzenebutanoic acid, a-(nitrophenylmethyl)-g-oxo-, methyl ester
CAS: 704-10-9
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.1107 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.1107 |
| Monoisotopic Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 704-10-9 |
|---|---|
| SMILES | COC(=O)C(CC(=O)C1=CC=CC=C1)C(C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | VIZRRZUGGLTFTO-UHFFFAOYSA-N |
Product Overview
Methyl 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoate (CAS 704-10-9), with molecular formula C18H17NO5 and molecular weight 327.1107 g/mol. IUPAC: methyl 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoate.
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 →
Methyl 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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