85186-47-6
Product Name:
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, salt with mono-C10-14-alkylbenzenesulfonic acid (1:1)
Formula:
C34H37N2O6S+
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Chemical Classes | UVCB |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 601.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 601.23723308 g/mol |
| Monoisotopic Mass | 601.23723308 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 1 |
| Complexity | 994 |
| 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 |