| CAS Number | 64871-70-1 |
| Catalog Number | AG01C2JL(AGN-PC-0OEYKO) |
| Chemical Name | 1-Methylcyclopentane-1-carbonitrile |
| IUPAC Name | 1-methylcyclopentane-1-carbonitrile |
| InChI | InChI=1S/C7H11N/c1-7(6-8)4-2-3-5-7/h2-5H2,1H3 |
| InChI Key | OZYDARRKCCHJOL-UHFFFAOYSA-N |
| MDL Number | MFCD13180543 |
| Molecular Formula | C7H11N |
| Molecular Weight | 109.1689 |
| SMILES | CC1(C#N)CCCC1 |
| Synonyms | 1-methylcyclopentane-1-carbonitrile,
64871-70-1,
SCHEMBL1928641,
ZINC75517772,
AKOS014320544,
1-methyl-cyclopentanecarbonitrile,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 109.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 109.172g/mol |
| Monoisotopic Mass | 109.089g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number