| CAS Number | 29030-58-8 |
| Catalog Number | AG01B4UZ |
| Chemical Name | 2-(4-Cyclohexylphenyl)acetonitrile |
| IUPAC Name | 2-(4-cyclohexylphenyl)acetonitrile |
| InChI | InChI=1S/C14H17N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2 |
| InChI Key | UNBNFPZJBCKFKR-UHFFFAOYSA-N |
| MDL Number | MFCD09923848 |
| Molecular Formula | C14H17N |
| Molecular Weight | 199.2915 |
| SMILES | N#CCC1=CC=C(C2CCCCC2)C=C1 |
| Synonyms | 2-(4-cyclohexylphenyl)acetonitrile,
29030-58-8,
paracyclohexylphenylacetonitrile,
SCHEMBL10913024,
para-cyclohexyl-phenylacetonitrile,
UNBNFPZJBCKFKR-UHFFFAOYSA-N,
ZINC44368867,
AKOS006310297,
EN300-298112,
Z2509351118,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.297g/mol |
| Monoisotopic Mass | 199.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number