3-Oxobutyl 3,5-dinitrobenzoate
3-oxobutyl 3,5-dinitrobenzoate
Also Known As: 3-oxobutyl 3,5-dinitrobenzoate|Molybdenum(V) trichloride-isopropoxide|3,5-Dinitrobenzoic acid 3-oxobutyl ester|J3.654.789H
CAS: 53995-77-0
| Molecular Formula | C11H10N2O7 |
|---|---|
| Molecular Weight | 282.0488 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.0488 |
| Monoisotopic Mass | 282.0488 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 53995-77-0 |
|---|---|
| SMILES | CC(=O)CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MHILDUHYQYTJEB-UHFFFAOYSA-N |
Product Overview
3-Oxobutyl 3,5-dinitrobenzoate (CAS 53995-77-0), with molecular formula C11H10N2O7 and molecular weight 282.0488 g/mol. IUPAC: 3-oxobutyl 3,5-dinitrobenzoate.
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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