| CAS Number | 194534-83-3 |
| Catalog Number | AG01A1SZ(AGN-PC-03SWBD) |
| Chemical Name | 3-Hydroxycyclopentanecarbonitrile |
| IUPAC Name | 3-hydroxycyclopentane-1-carbonitrile |
| InChI | InChI=1S/C6H9NO/c7-4-5-1-2-6(8)3-5/h5-6,8H,1-3H2 |
| InChI Key | CBYFMEDJHNTXQX-UHFFFAOYSA-N |
| MDL Number | MFCD21184625 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | N#CC1CC(O)CC1 |
| Synonyms | 3-hydroxycyclopentanecarbonitrile,
194534-83-3,
3-hydroxycyclopentane-1-carbonitrile,
Cyclopentanecarbonitrile, 3-hydroxy-,
SCHEMBL5358055,
AKOS014572502,
MCULE-5905406850,
NE25029,
DA-08668,
FT-0740019,
Z1492807078,
3-hydroxycyclopentane-1-carbonitrile, Mixture of diastereomers,
trans-3-hydroxycyclopentanecarbonitrile,
Cis-3-hydroxycyclopentanecarbonitrile,
952616-17-0,
1048668-05-8,
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| 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 | 0.2 |
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Certificate of Analysis
Lot Number