324538-21-8
Product Name:
Acetonitrile, [(5R)-5-methyl-2-(1-methylethylidene)cyclohexylidene]-, (2E)- (9CI)
Formula:
C12H17N
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COMPUTED DESCRIPTORS
| Molecular Weight | 175.27 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 175.136099547 g/mol |
| Monoisotopic Mass | 175.136099547 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 294 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |