1212351-49-9
Product Name:
DIMETHYL 5,5-DICYANO-6-(4-CYANOPHENYL)-4-(4-ETHOXYPHENYL)-2-HYDROXY-1-CYCLOHEXENE-1,3-DICARBOXYLATE
Formula:
C27H23N3O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 485.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 485.15868546 g/mol |
| Monoisotopic Mass | 485.15868546 g/mol |
| Topological Polar Surface Area | 153 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 1010 |
| 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 |