72102-91-1
Product Name:
9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium perchlorate
Formula:
C32H31ClN2O7
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Odorless, dark green crystals with a bronze sheen; [MSDSonline] |
|---|---|
| Chemical Classes | Dyes -> Rhodamine Dyes |
COMPUTED DESCRIPTORS
| Molecular Weight | 591.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 590.1819790 g/mol |
| Monoisotopic Mass | 590.1819790 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1180 |
| 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 |