| CAS Number | 4354-47-6 |
| Catalog Number | AG01BCRX(AGN-PC-0RRTD5) |
| Chemical Name | 2-Cyclohexyl-2-Hydroxyacetonitrile |
| IUPAC Name | 2-cyclohexyl-2-hydroxyacetonitrile |
| InChI | InChI=1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2 |
| InChI Key | JLNKJTJSIQKWEU-UHFFFAOYSA-N |
| MDL Number | MFCD12169363 |
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.1949 |
| SMILES | N#CC(C1CCCCC1)O |
| Synonyms | 2-cyclohexyl-2-hydroxyacetonitrile,
4354-47-6,
cyclohexyl(hydroxy)acetonitrile,
Cyclohexylhydroxyacetonitrile,
Cyclohexyl-hydroxy-acetonitrile,
SCHEMBL3365824,
JLNKJTJSIQKWEU-UHFFFAOYSA-N,
AKOS009470623,
MCULE-2814689309,
NE32243,
2-cyclohexyl-2-hydroxy-acetonitrile,
CID11400816,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.198g/mol |
| Monoisotopic Mass | 139.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number