| CAS Number | 76474-09-4 |
| Catalog Number | AG019TH1(AGN-PC-0NJH7R) |
| Chemical Name | 2-Methoxy-2-methylpropanenitrile |
| IUPAC Name | 2-methoxy-2-methylpropanenitrile |
| InChI | InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3 |
| InChI Key | GREBWGAVFUQVPM-UHFFFAOYSA-N |
| MDL Number | MFCD21648802 |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| SMILES | COC(C#N)(C)C |
| Synonyms | 2-methoxy-2-methylpropanenitrile,
2-Methoxyisobutyronitrile,
76474-09-4,
DTXSID90503212,
GREBWGAVFUQVPM-UHFFFAOYSA-N,
Propanenitrile, 2-methoxy-2-methyl-,
ZINC39249422,
AKOS014753040,
|
| Complexity | 97.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 99.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 99.133g/mol |
| Monoisotopic Mass | 99.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number