| CAS Number | 660448-91-9 |
| Catalog Number | AG01C5MU(AGN-PC-0TJ87P) |
| Chemical Name | 4-Cyclopropyl-3-oxobutanenitrile |
| IUPAC Name | 4-cyclopropyl-3-oxobutanenitrile |
| InChI | InChI=1S/C7H9NO/c8-4-3-7(9)5-6-1-2-6/h6H,1-3,5H2 |
| InChI Key | ROMUGNYSBLAWAK-UHFFFAOYSA-N |
| MDL Number | MFCD16665722 |
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.1525 |
| SMILES | C1(CC1)CC(CC#N)=O |
| Synonyms | 4-cyclopropyl-3-oxobutanenitrile,
4-Cyclopropyl-3-oxo-butyronitrile,
660448-91-9,
SCHEMBL3337393,
ROMUGNYSBLAWAK-UHFFFAOYSA-N,
ZINC49730655,
AKOS010825346,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.155g/mol |
| Monoisotopic Mass | 123.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number