68978-89-2
Product Name:
Benzenebutanoic acid, β-amino-, methyl ester, (βS)-
Formula:
C11H15NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 193.24 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 193.110278721 g/mol |
| Monoisotopic Mass | 193.110278721 g/mol |
| Topological Polar Surface Area | 52.3 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 176 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |