93470-31-6
Product Name:
1-(2-Hydroxy-julolidin-4-yl)-3-(1,4-dihydro-2-hydroxy-julolidin-4-ylidene-onium)-2-oxo-cyclobuten-4-olate
Formula:
C28H28N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.5 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 456.20490738 g/mol |
| Monoisotopic Mass | 456.20490738 g/mol |
| Topological Polar Surface Area | 81.1 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 1110 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |