| CAS Number | 83268-57-9 |
| Catalog Number | AG01ACIZ(AGN-PC-00GQIA) |
| Chemical Name | 1-Methoxycyclohexane-1-carbonitrile |
| IUPAC Name | 1-methoxycyclohexane-1-carbonitrile |
| InChI | InChI=1S/C8H13NO/c1-10-8(7-9)5-3-2-4-6-8/h2-6H2,1H3 |
| InChI Key | SOQLZFRLDXMIES-UHFFFAOYSA-N |
| MDL Number | MFCD21338193 |
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.1949 |
| SMILES | COC1(C#N)CCCCC1 |
| Synonyms | 1-methoxycyclohexane-1-carbonitrile,
1-methoxycyclohexanecarbonitrile,
83268-57-9,
Cyclohexanecarbonitrile, 1-methoxy-,
SCHEMBL18000,
SOQLZFRLDXMIES-UHFFFAOYSA-N,
1-methoxy-cyclohexane-1-carbonitrile,
ZINC36455627,
AKOS015416141,
I14-20903,
Z2234185659,
CID11815442,
|
| Complexity | 150 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.198g/mol |
| Monoisotopic Mass | 139.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number