| CAS Number | 1248039-33-9 |
| Catalog Number | AG01AAK7(AGN-PC-0WO3TR) |
| Chemical Name | 2-[2-(1H-1,2,4-triazol-1-yl)ethoxy]ethan-1-ol |
| IUPAC Name | 2-[2-(1,2,4-triazol-1-yl)ethoxy]ethanol |
| InChI | InChI=1S/C6H11N3O2/c10-2-4-11-3-1-9-6-7-5-8-9/h5-6,10H,1-4H2 |
| InChI Key | WDYKYRPBZOITIL-UHFFFAOYSA-N |
| MDL Number | MFCD12785460 |
| Molecular Formula | C6H11N3O2 |
| Molecular Weight | 157.1704 |
| SMILES | OCCOCCN1N=CN=C1 |
| Synonyms | 2-[2-(1H-1,2,4-triazol-1-yl)ethoxy]ethan-1-ol,
1248039-33-9,
AC1Q7D9R,
ZINC40229496,
AKOS008145659,
MCULE-4414039125,
NE51555,
EN300-68844,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.173g/mol |
| Monoisotopic Mass | 157.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number