CHEMICAL AND PHYSICAL PROPERTIES
Decomposition | When heated to decomposition it emits toxic fumes of nitric oxide. /1,3-dinitropyrene/ |
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Other Experimental Properties | MP(1) 274-276 °C; MP(2): 297-298 °C; light brown needles, recrystallized from benzene and methanol, orange crystalline solid; moderately soluble in toluene. /1,3-Dinitropyrene/ |
COMPUTED DESCRIPTORS
Molecular Weight | 292.24 g/mol |
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XLogP3 | 4.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 0 |
Exact Mass | 292.04840674 g/mol |
Monoisotopic Mass | 292.04840674 g/mol |
Topological Polar Surface Area | 91.6 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 486 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |