120528-73-6
Product Name:
2-{6[-(4-Dimethylaminophenyl)-2,4-neopentenylene]-1,3,5-hexatrienyl}-3-methylbenzthiazoliumperchlorate
Formula:
C27H31N2S.ClO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 515.1 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 514.1693063 g/mol |
| Monoisotopic Mass | 514.1693063 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 777 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |