471260-00-1
Product Name:
dimethyl 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
Formula:
C17H19BrO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.2 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 398.03650 g/mol |
| Monoisotopic Mass | 398.03650 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 513 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |