89458-03-7
Product Name:
Benzoic acid, 4-(5-octyl-1,3-dioxan-2-yl)-, 3-chloro-4-cyanophenyl ester
Formula:
C26H30ClNO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.0 g/mol |
|---|---|
| XLogP3 | 7.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 11 |
| Exact Mass | 455.1863361 g/mol |
| Monoisotopic Mass | 455.1863361 g/mol |
| Topological Polar Surface Area | 68.6 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 604 |
| 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 |