1217712-92-9
Product Name:
DIMETHYL 5,5-DICYANO-4-(4-CYANOPHENYL)-2-HYDROXY-6-(4-METHYLPHENYL)-1-CYCLOHEXENE-1,3-DICARBOXYLATE
Formula:
C26H21N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 455.14812078 g/mol |
| Monoisotopic Mass | 455.14812078 g/mol |
| Topological Polar Surface Area | 144 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 973 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |