| CAS Number | 121955-82-6 |
| Catalog Number | AG0016GE(AGN-PC-0WNH6K) |
| Chemical Name | Cyclohexanecarbonitrile, 1-methyl-4-oxo- |
| IUPAC Name | 1-methyl-4-oxocyclohexane-1-carbonitrile |
| InChI | InChI=1S/C8H11NO/c1-8(6-9)4-2-7(10)3-5-8/h2-5H2,1H3 |
| InChI Key | DDSBNJVJUCCGNO-UHFFFAOYSA-N |
| MDL Number | MFCD17013932 |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.1790 |
| SMILES | C(#N)C1(C)CCC(=O)CC1 |
| Synonyms | 121955-82-6,
1-methyl-4-oxocyclohexane-1-carbonitrile,
1-Methyl-4-oxo-cyclohexanecarbonitrile,
1-Methyl-4-oxocyclohexanecarbonitrile,
Cyclohexanecarbonitrile, 1-methyl-4-oxo-,
4-methyl-4-cyanocyclohexanone,
SCHEMBL2106510,
DDSBNJVJUCCGNO-UHFFFAOYSA-N,
MFCD17013932,
ZINC34253095,
AKOS022633647,
KS-000008N1,
AS-51150,
FT-0744989,
Z2238508568,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.182g/mol |
| Monoisotopic Mass | 137.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number