753012-69-0
Product Name:
5-Isoxazolemethanol,3-ethyl-4,5-dihydro-alpha-methyl-4-phenyl-,(alphaR,4S)-(9CI)
Formula:
C13H17NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 219.28 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 219.125928785 g/mol |
| Monoisotopic Mass | 219.125928785 g/mol |
| Topological Polar Surface Area | 41.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 259 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |