| CAS Number | 1432684-10-0 |
| Catalog Number | AG01A4O2(AGN-PC-0WO4DN) |
| Chemical Name | Potassium 1-cyano-5-methylhex-1-en-2-olate |
| IUPAC Name | potassium;1-cyano-5-methylhex-1-en-2-olate |
| InChI | InChI=1S/C8H13NO.K/c1-7(2)3-4-8(10)5-6-9;/h5,7,10H,3-4H2,1-2H3;/q;+1/p-1 |
| InChI Key | HTILNBGUBBJTSK-UHFFFAOYSA-M |
| MDL Number | MFCD23701944 |
| Molecular Formula | C8H12KNO |
| Molecular Weight | 177.2853 |
| SMILES | [K+].CC(CCC([O-])=CC#N)C |
| Synonyms | potassium 1-cyano-5-methylhex-1-en-2-olate,
1432684-10-0,
AKOS026727511,
NE36858,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.288g/mol |
| Monoisotopic Mass | 177.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number