| CAS Number | 50654-43-8 |
| Catalog Number | AG01A5FJ(AGN-PC-00PP23) |
| Chemical Name | 1-(Hydroxymethyl)cyclohexane-1-carbonitrile |
| IUPAC Name | 1-(hydroxymethyl)cyclohexane-1-carbonitrile |
| InChI | InChI=1S/C8H13NO/c9-6-8(7-10)4-2-1-3-5-8/h10H,1-5,7H2 |
| InChI Key | OTFFQLYIFZDRRJ-UHFFFAOYSA-N |
| MDL Number | MFCD19313177 |
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.1949 |
| SMILES | OCC1(CCCCC1)C#N |
| Synonyms | 1-(hydroxymethyl)cyclohexane-1-carbonitrile,
50654-43-8,
1-(hydroxymethyl)cyclohexanecarbonitrile,
SCHEMBL6222795,
OTFFQLYIFZDRRJ-UHFFFAOYSA-N,
ZINC34588653,
1-Hydroxymethyl-cyclohexanecarbonitrile,
AKOS017514335,
MCULE-3295676775,
NE39534,
FT-0755496,
Z1626920961,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.198g/mol |
| Monoisotopic Mass | 139.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number