| CAS Number | 1487610-80-9 |
| Catalog Number | AG01BBZM |
| Chemical Name | 1-(Tetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 1-(oxan-4-yl)triazole-4-carboxylic acid |
| InChI | InChI=1S/C8H11N3O3/c12-8(13)7-5-11(10-9-7)6-1-3-14-4-2-6/h5-6H,1-4H2,(H,12,13) |
| InChI Key | MPYZRKCEEZCDNY-UHFFFAOYSA-N |
| MDL Number | MFCD19612014 |
| Molecular Formula | C8H11N3O3 |
| Molecular Weight | 197.1912 |
| SMILES | O1CCC(CC1)N1N=NC(=C1)C(=O)O |
| Synonyms | 1-(oxan-4-yl)-1H-1,2,3-triazole-4-carboxylic acid,
1487610-80-9,
1-(Tetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazole-4-carboxylic acid,
ZINC68958191,
AKOS013252411,
F1908-3132,
Z2160887189,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.194g/mol |
| Monoisotopic Mass | 197.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number