| CAS Number | 1096868-18-6 |
| Catalog Number | AG01A4OY(AGN-PC-0WO3ZM) |
| Chemical Name | 2-cyclopropylpropanenitrile |
| IUPAC Name | 2-cyclopropylpropanenitrile |
| InChI | InChI=1S/C6H9N/c1-5(4-7)6-2-3-6/h5-6H,2-3H2,1H3 |
| InChI Key | XIXPBVLOLRFPNE-UHFFFAOYSA-N |
| MDL Number | MFCD11641456 |
| Molecular Formula | C6H9N |
| Molecular Weight | 95.1424 |
| SMILES | CC(C1CC1)C#N |
| Synonyms | 2-cyclopropylpropanenitrile,
1096868-18-6,
AKOS009459464,
MCULE-5117863339,
NE31196,
Z1869851952,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 95.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 95.145g/mol |
| Monoisotopic Mass | 95.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number