| CAS Number | 1707403-03-9 |
| Catalog Number | AG01EK6C |
| Chemical Name | 1-(oxetan-3-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(oxetan-3-yl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C6H7N3O3/c10-6(11)5-1-9(8-7-5)4-2-12-3-4/h1,4H,2-3H2,(H,10,11) |
| InChI Key | XNZMBOFLVOQECH-UHFFFAOYSA-N |
| MDL Number | MFCD21849149 |
| Molecular Formula | C6H7N3O3 |
| Molecular Weight | 169.1381 |
| SMILES | OC(C1N=NN(C2COC2)C=1)=O |
| Synonyms | 1-(oxetan-3-yl)triazole-4-carboxylic acid,
1707403-03-9,
1-(Oxetan-3-yl)-1H-1,2,3-triazole-4-carboxylic acid,
ZINC96320267,
AKOS027457492,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.14g/mol |
| Monoisotopic Mass | 169.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number