| CAS Number | 1479205-96-3 |
| Catalog Number | AG01AFER(AGN-PC-0WOEK8) |
| Chemical Name | 2-Ethoxy-3-methylbutanenitrile |
| IUPAC Name | 2-ethoxy-3-methylbutanenitrile |
| InChI | InChI=1S/C7H13NO/c1-4-9-7(5-8)6(2)3/h6-7H,4H2,1-3H3 |
| InChI Key | AKUZONKAWGDQFX-UHFFFAOYSA-N |
| MDL Number | MFCD21684165 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | CCOC(C(C)C)C#N |
| Synonyms | 2-ethoxy-3-methylbutanenitrile,
1479205-96-3,
AKOS015415917,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number