| CAS Number | 1469060-08-9 |
| Catalog Number | AG01ACH2(AGN-PC-0WO9QV) |
| Chemical Name | 2-methoxy-3-methylbutanenitrile |
| IUPAC Name | 2-methoxy-3-methylbutanenitrile |
| InChI | InChI=1S/C6H11NO/c1-5(2)6(4-7)8-3/h5-6H,1-3H3 |
| InChI Key | GCSRYTQWKGSJBT-UHFFFAOYSA-N |
| MDL Number | MFCD21684369 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | COC(C(C)C)C#N |
| Synonyms | 2-methoxy-3-methylbutanenitrile,
1469060-08-9,
SCHEMBL18126118,
AKOS015412982,
MCULE-7959856839,
NE40107,
Z1723418932,
|
| Complexity | 100 |
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number