428820-82-0
Product Name:
Benzoic acid, 3-borono-5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-methyl ester (9CI)
Formula:
C13H18BNO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 295.10 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 295.1227175 g/mol |
| Monoisotopic Mass | 295.1227175 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 381 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |