113489-34-2
Product Name:
bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate
Formula:
C21H18N2O12
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COMPUTED DESCRIPTORS
| Molecular Weight | 490.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 490.08597401 g/mol |
| Monoisotopic Mass | 490.08597401 g/mol |
| Topological Polar Surface Area | 181 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 734 |
| 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 |