| CAS Number | 1510879-45-4 |
| Catalog Number | AG01C5AX |
| Chemical Name | 1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]ethan-1-ol |
| IUPAC Name | 1-(1-propan-2-yltriazol-4-yl)ethanol |
| InChI | InChI=1S/C7H13N3O/c1-5(2)10-4-7(6(3)11)8-9-10/h4-6,11H,1-3H3 |
| InChI Key | PBOCCKDVSPHWML-UHFFFAOYSA-N |
| MDL Number | MFCD24109336 |
| Molecular Formula | C7H13N3O |
| Molecular Weight | 155.1976 |
| SMILES | CC(N1N=NC(C(O)C)=C1)C |
| Synonyms | 1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]ethan-1-ol,
1510879-45-4,
AKOS020022602,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.201g/mol |
| Monoisotopic Mass | 155.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number