| CAS Number | 2826-50-8 |
| Catalog Number | AG01A67A(AGN-PC-0WOFA7) |
| Chemical Name | 2-Methylcyclopentane-1-carbonitrile |
| IUPAC Name | 2-methylcyclopentane-1-carbonitrile |
| InChI | InChI=1S/C7H11N/c1-6-3-2-4-7(6)5-8/h6-7H,2-4H2,1H3 |
| InChI Key | ZJIHBZDKEFKVBZ-UHFFFAOYSA-N |
| MDL Number | MFCD21105530 |
| Molecular Formula | C7H11N |
| Molecular Weight | 109.1689 |
| SMILES | CC1C(C#N)CCC1 |
| Synonyms | 2-methylcyclopentanenitrile,
2826-50-8,
2-methylcyclopentanecarbonitrile,
SCHEMBL7745760,
SCHEMBL15383184,
2-methylcyclopentane-1-carbonitrile,
2-methyl-cyclopentane-1-carbonitrile,
AKOS013304105,
2-methylcyclopentane-1-carbonitrile, Mixture of diastereomers,
|
| Complexity | 120 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number