| CAS Number | 1048668-05-8 |
| Catalog Number | AG00HAFB(AGN-PC-0WG3Y6) |
| Chemical Name | Cis-3-Hydroxycyclopentanecarbonitrile |
| IUPAC Name | (1S,3R)-3-hydroxycyclopentane-1-carbonitrile |
| InChI | InChI=1S/C6H9NO/c7-4-5-1-2-6(8)3-5/h5-6,8H,1-3H2/t5-,6+/m0/s1 |
| InChI Key | CBYFMEDJHNTXQX-NTSWFWBYSA-N |
| MDL Number | MFCD27997505 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | N#C[C@H]1CC[C@H](C1)O |
| Synonyms | Cis-3-hydroxycyclopentanecarbonitrile,
1048668-05-8,
MFCD27997505,
ZINC82164363,
AS-39864,
CS-0038000,
(1S,3R)-3-HYDROXYCYCLOPENTANE-1-CARBONITRILE,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number