27339-25-9
Product Name:
3-(3,4-dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile
Formula:
C16H21NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 275.34 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 275.15214353 g/mol |
| Monoisotopic Mass | 275.15214353 g/mol |
| Topological Polar Surface Area | 59.3 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 360 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |