| CAS Number | 1249104-16-2 |
| Catalog Number | AG01BTTR |
| Chemical Name | {1-[(oxolan-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol |
| IUPAC Name | [1-(oxolan-2-ylmethyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C8H13N3O2/c12-6-7-4-11(10-9-7)5-8-2-1-3-13-8/h4,8,12H,1-3,5-6H2 |
| InChI Key | JAGMSNFMPZKMNI-UHFFFAOYSA-N |
| MDL Number | MFCD16841042 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | OCC1N=NN(CC2OCCC2)C=1 |
| Synonyms | {1-[(oxolan-2-yl)methyl]-1H-1,2,3-triazol-4-yl}methanol,
AKOS011689700,
F2157-0644,
[1-(oxolan-2-ylmethyl)-1H-1,2,3-triazol-4-yl]methanol,
1249104-16-2,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
Lot Number