![Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate structure](/static/products/5936/5936-79-8.webp)
Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
Also Known As: 2, methyl ester|methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate|METHYL 2,2-BIS[2-(4-NITROPHENYL)ETHYL]-3-OXO-BUTANOATE
CAS: 5936-79-8
| Molecular Formula | C21H22N2O7 |
|---|---|
| Molecular Weight | 414.1427 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.1427 |
| Monoisotopic Mass | 414.1427 |
| Heavy Atoms | 30 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 5936-79-8 |
|---|---|
| SMILES | CC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
| InChIKey | YNSBZUQDKWDXRD-UHFFFAOYSA-N |
Product Overview
Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate (CAS 5936-79-8), with molecular formula C21H22N2O7 and molecular weight 414.1427 g/mol. IUPAC: methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate.
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 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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