| CAS Number | 145550-55-6 |
| Catalog Number | AG01AFEW(AGN-PC-0GR5E1) |
| Chemical Name | 2-Methoxy-2-methylbutanenitrile |
| IUPAC Name | 2-methoxy-2-methylbutanenitrile |
| InChI | InChI=1S/C6H11NO/c1-4-6(2,5-7)8-3/h4H2,1-3H3 |
| InChI Key | NLLQZBUBGKURMJ-UHFFFAOYSA-N |
| MDL Number | MFCD21684362 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | CCC(C#N)(OC)C |
| Synonyms | 2-methoxy-2-methylbutanenitrile,
145550-55-6,
SCHEMBL16236892,
AKOS015415931,
Z2168515524,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number