| CAS Number | 253317-26-9 |
| Catalog Number | AG01AFEN(AGN-PC-0WOEJJ) |
| Chemical Name | 2-methoxybutanenitrile |
| IUPAC Name | 2-methoxybutanenitrile |
| InChI | InChI=1S/C5H9NO/c1-3-5(4-6)7-2/h5H,3H2,1-2H3 |
| InChI Key | HLGNKWVNJVYHJO-UHFFFAOYSA-N |
| MDL Number | MFCD16082533 |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| SMILES | CCC(C#N)OC |
| Synonyms | 2-methoxybutanenitrile,
253317-26-9,
Butanenireile, 2-methoxy,
HLGNKWVNJVYHJO-UHFFFAOYSA-N,
AKOS010968800,
Z2092396732,
|
| Complexity | 81.3 |
| 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 | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number