| CAS Number | 6142-59-2 |
| Catalog Number | AG019RSK(AGN-PC-0CDEUN) |
| Chemical Name | 2-Methylcyclopropane-1-carbonitrile |
| IUPAC Name | 2-methylcyclopropane-1-carbonitrile |
| InChI | InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3 |
| InChI Key | MWIZMXFPLVYCEB-UHFFFAOYSA-N |
| MDL Number | MFCD17276633 |
| Molecular Formula | C5H7N |
| Molecular Weight | 81.1158 |
| SMILES | CC1C(C#N)C1 |
| Synonyms | 2-methylcyclopropane-1-carbonitrile,
6142-59-2,
AC1L7UV2,
2-Methyl-cyclopropancarbonitril,
AKOS008154110,
MCULE-4373618430,
NE49749,
EN300-90357,
CID316890,
|
| Complexity | 97.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 81.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 81.118g/mol |
| Monoisotopic Mass | 81.058g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number