131447-89-7
Product Name:
DL-3-(1-ACETOXY-1-METHYLETHYL)-6-OXOHEPTANENITRILE
Formula:
C12H19NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 225.28 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 225.13649347 g/mol |
| Monoisotopic Mass | 225.13649347 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 312 |
| 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 |