| CAS Number | 78104-88-8 |
| Catalog Number | AG00GGZ1(AGN-PC-0JMU60) |
| Chemical Name | 1-Methylcyclopropane-1-carbonitrile |
| IUPAC Name | 1-methylcyclopropane-1-carbonitrile |
| InChI | InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3 |
| InChI Key | DMHTVLQCVJYWSI-UHFFFAOYSA-N |
| MDL Number | MFCD14706015 |
| Molecular Formula | C5H7N |
| Molecular Weight | 81.1158 |
| SMILES | CC1(C#N)CC1 |
| Synonyms | 1-methylcyclopropane-1-carbonitrile,
78104-88-8,
Cyclopropanecarbonitrile, 1-methyl-,
AC1Q2CX9,
AC1L3Q19,
DTXSID40228746,
ZINC5762163,
MFCD14706015,
DA-17036,
FT-0765620,
CID144844,
|
| Complexity | 102 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number