| CAS Number | 838835-51-1 |
| Catalog Number | AG01C2A3(AGN-PC-0UPPXN) |
| Chemical Name | cis-4-hydroxy-1-methylcyclohexane-1-carbonitrile |
| IUPAC Name | 4-hydroxy-1-methylcyclohexane-1-carbonitrile |
| InChI | InChI=1S/C8H13NO/c1-8(6-9)4-2-7(10)3-5-8/h7,10H,2-5H2,1H3 |
| InChI Key | FMNOPHVZUCKHFN-UHFFFAOYSA-N |
| MDL Number | MFCD28403036 |
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.1949 |
| SMILES | C[C@]1(C#N)CC[C@@H](O)CC1 |
| Synonyms | 4-hydroxy-1-methylcyclohexane-1-carbonitrile,
1501726-52-8,
SCHEMBL1551367,
SCHEMBL1551370,
ZINC84426133,
AKOS023427696,
ZINC116497456,
4-hydroxy-1-methylcyclohexane-1-carbonitrile, cis,
Z2235409158,
838835-51-1,
|
| Complexity | 159 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.198g/mol |
| Monoisotopic Mass | 139.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number