| CAS Number | 68455-39-0 |
| Catalog Number | AG01DWLF(AGN-PC-0TSMCP) |
| Chemical Name | rac-(1R,2S)-2-hydroxycyclopentane-1-carbonitrile, trans |
| IUPAC Name | 2-hydroxycyclopentane-1-carbonitrile |
| InChI | InChI=1S/C6H9NO/c7-4-5-2-1-3-6(5)8/h5-6,8H,1-3H2 |
| InChI Key | LXEPXMXJJFJNOU-UHFFFAOYSA-N |
| MDL Number | MFCD17977243 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | O[C@H]1[C@@H](CCC1)C#N |
| Synonyms | 2-hydroxycyclopentane-1-carbonitrile,
57836-12-1,
2-Hydroxycyclopentanecarbonitrile,
68455-39-0,
trans-2-hydroxycyclopentane-1-carbonitrile,
(1S,2R)-2-hydroxycyclopentane-1-carbonitrile,
351218-21-8,
AC1Q7AKQ,
SCHEMBL6743146,
CTK1F1143,
DTXSID20499795,
Cyclopentanecarbonitrile, 2-hydroxy-,
AKOS009434712,
MCULE-8441776059,
NE15222,
EN300-61208,
Z1198107478,
2-hydroxycyclopentane-1-carbonitrile, Mixture of diastereomers,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number