| CAS Number | 63726-64-7 |
| Catalog Number | AG01B6FX(AGN-PC-0E4R10) |
| Chemical Name | 2-formyl-4-methylpentanenitrile |
| IUPAC Name | 2-formyl-4-methylpentanenitrile |
| InChI | InChI=1S/C7H11NO/c1-6(2)3-7(4-8)5-9/h5-7H,3H2,1-2H3 |
| InChI Key | VAYKBFIOVFAGDY-UHFFFAOYSA-N |
| MDL Number | MFCD16068917 |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.1683 |
| SMILES | CC(CC(C#N)C=O)C |
| Synonyms | 2-formyl-4-methylpentanenitrile,
63726-64-7,
AKOS010912451,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.171g/mol |
| Monoisotopic Mass | 125.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number