| CAS Number | 87271-70-3 |
| Catalog Number | AG01AFEY(AGN-PC-00KVQJ) |
| Chemical Name | 2-ethyl-2-methoxybutanenitrile |
| IUPAC Name | 2-ethyl-2-methoxybutanenitrile |
| InChI | InChI=1S/C7H13NO/c1-4-7(5-2,6-8)9-3/h4-5H2,1-3H3 |
| InChI Key | FSAFOUOPIXABDR-UHFFFAOYSA-N |
| MDL Number | MFCD21684444 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | CCC(C#N)(OC)CC |
| Synonyms | 2-ethyl-2-methoxybutanenitrile,
87271-70-3,
ZINC85091124,
AKOS015413201,
Z2168515465,
|
| Complexity | 118 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number