85689-98-1
Product Name:
Benzenemethanol, 4-cyclopentyl-alpha-(((1-methylethyl)(phenylmethyl)am ino)methyl)-, (Z)-2-butenedioate, hydrate
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COMPUTED DESCRIPTORS
| Molecular Weight | 453.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 453.25152322 g/mol |
| Monoisotopic Mass | 453.25152322 g/mol |
| Topological Polar Surface Area | 98.1 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 481 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |