| CAS Number | 1489220-54-3 |
| Catalog Number | AG01AC1K |
| Chemical Name | cyclohexyl(4H-1,2,4-triazol-3-yl)methanol |
| IUPAC Name | cyclohexyl(1H-1,2,4-triazol-5-yl)methanol |
| InChI | InChI=1S/C9H15N3O/c13-8(9-10-6-11-12-9)7-4-2-1-3-5-7/h6-8,13H,1-5H2,(H,10,11,12) |
| InChI Key | NDIIGSHIEZHMCB-UHFFFAOYSA-N |
| MDL Number | MFCD21194736 |
| Molecular Formula | C9H15N3O |
| Molecular Weight | 181.2349 |
| SMILES | OC(C1NC=NN=1)C1CCCCC1 |
| Synonyms | cyclohexyl(4H-1,2,4-triazol-3-yl)methanol,
1489220-54-3,
AKOS014699027,
Z2568758028,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.239g/mol |
| Monoisotopic Mass | 181.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number