Methyl 2,7-dinitropentacyclo-(4.2.0,0(2,5).0(3,8).0(4,7))octane-1-carboxylate
methyl 2,7-dinitrocubane-1-carboxylate
Also Known As: 2,7-Dpoc|2-Methoxycarbonyl-1,4-dinitrocubane|ACMC-1C0HB|methyl 2,7-dinitrocubane-1-carboxylate|Methyl 2,7-dinitropentacyclo-(4.2.0,0(2,5).0(3,8).0(4,7))octane-1-carboxylate|Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylicacid, 2,7-dinitro-, methyl ester
| Molecular Formula | C10H8N2O6 |
|---|---|
| Molecular Weight | 252.03824 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.03824 |
| Monoisotopic Mass | 252.03824 |
| Heavy Atoms | 18 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 1789-53-3 |
|---|---|
| SMILES | COC(=O)C12C3C4C1(C5C4C3(C25)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CALZAILSGDZPNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,7-dinitropentacyclo-(4.2.0,0(2,5).0(3,8).0(4,7))octane-1-carboxylate (CAS 1789-53-3), with molecular formula C10H8N2O6 and molecular weight 252.03824 g/mol. IUPAC: methyl 2,7-dinitrocubane-1-carboxylate.
Methyl 2,7-dinitropentacyclo-(4.2.0,0(2,5).0(3,8).0(4,7))octane-1-carboxylate is a custom synthesis product. We offer services from milligram to kilogram scale.
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