| CAS Number | 7178-96-3 |
| Catalog Number | AG01DWMJ |
| Chemical Name | 2-(1-hydroxycyclohexyl)-2-methylpropanenitrile |
| IUPAC Name | 2-(1-hydroxycyclohexyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H17NO/c1-9(2,8-11)10(12)6-4-3-5-7-10/h12H,3-7H2,1-2H3 |
| InChI Key | CAPFEGFDDNRVFW-UHFFFAOYSA-N |
| MDL Number | MFCD21801339 |
| Molecular Formula | C10H17NO |
| Molecular Weight | 167.2481 |
| SMILES | CC(C1(CCCCC1)O)(C#N)C |
| Synonyms | 2-(1-hydroxycyclohexyl)-2-methylpropanenitrile,
7178-96-3,
AKOS017670045,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.252g/mol |
| Monoisotopic Mass | 167.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number