| CAS Number | 1016866-31-1 |
| Catalog Number | AG019XG1(AGN-PC-0WO4Q6) |
| Chemical Name | 2-[(2-methylcyclohexyl)oxy]acetonitrile |
| IUPAC Name | 2-(2-methylcyclohexyl)oxyacetonitrile |
| InChI | InChI=1S/C9H15NO/c1-8-4-2-3-5-9(8)11-7-6-10/h8-9H,2-5,7H2,1H3 |
| InChI Key | NNCVZFUKMFMOJZ-UHFFFAOYSA-N |
| MDL Number | MFCD09949498 |
| Molecular Formula | C9H15NO |
| Molecular Weight | 153.2215 |
| SMILES | CC1C(OCC#N)CCCC1 |
| Synonyms | 2-[(2-methylcyclohexyl)oxy]acetonitrile,
1016866-31-1,
AC1Q2R25,
AKOS000197423,
MCULE-2063046977,
NE31234,
EN300-54888,
Z839027666,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.225g/mol |
| Monoisotopic Mass | 153.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number