23857-51-4
Product Name:
9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium perchlorate
Formula:
C28H31ClN2O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 543.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 542.1819790 g/mol |
| Monoisotopic Mass | 542.1819790 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 906 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |