2497-78-1
Product Name:
sodium 2-(3-amino-2,4,6-triiodobenzyl)butyrate
Formula:
C11H11I3NNaO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 592.91 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 592.7822 g/mol |
| Monoisotopic Mass | 592.7822 g/mol |
| Topological Polar Surface Area | 66.2 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 283 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |