| CAS Number | 87271-68-9 |
| Catalog Number | AG01AFEO(AGN-PC-0WOEJK) |
| Chemical Name | 2-Ethoxybutanenitrile |
| IUPAC Name | 2-ethoxybutanenitrile |
| InChI | InChI=1S/C6H11NO/c1-3-6(5-7)8-4-2/h6H,3-4H2,1-2H3 |
| InChI Key | GHMJXRLUKUMGSQ-UHFFFAOYSA-N |
| MDL Number | MFCD16082534 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | CCOC(C#N)CC |
| Synonyms | 2-ethoxybutanenitrile,
87271-68-9,
SCHEMBL555929,
AKOS010968801,
|
| Complexity | 91.9 |
| 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 | 3 |
| 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