| CAS Number | 129415-86-7 |
| Catalog Number | AG01BC1L |
| Chemical Name | 2-(3,3-dimethylcyclobutyl)acetonitrile |
| IUPAC Name | 2-(3,3-dimethylcyclobutyl)acetonitrile |
| InChI | InChI=1S/C8H13N/c1-8(2)5-7(6-8)3-4-9/h7H,3,5-6H2,1-2H3 |
| InChI Key | CILLCBIISHUFGI-UHFFFAOYSA-N |
| MDL Number | MFCD28954095 |
| Molecular Formula | C8H13N |
| Molecular Weight | 123.1955 |
| SMILES | CC1(CC(CC#N)C1)C |
| Synonyms | 2-(3,3-dimethylcyclobutyl)acetonitrile,
129415-86-7,
ZINC238850651,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.199g/mol |
| Monoisotopic Mass | 123.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number