| CAS Number | 63062-88-4 |
| Catalog Number | AG01A8IG(AGN-PC-02VEAF) |
| Chemical Name | 2-Methyl-2H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 2-methyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C4H5N3O2/c1-7-5-2-3(6-7)4(8)9/h2H,1H3,(H,8,9) |
| InChI Key | GFNZYOVVRMWTOF-UHFFFAOYSA-N |
| MDL Number | MFCD19160716 |
| Molecular Formula | C4H5N3O2 |
| Molecular Weight | 127.1014 |
| SMILES | Cn1nc(cn1)C(=O)O |
| Synonyms | 2-methyl-2h-1,2,3-triazole-4-carboxylic acid,
63062-88-4,
2-methyl-1,2,3-triazole-4-carboxylic acid,
SCHEMBL461271,
CTK2A9917,
DTXSID60608647,
GFNZYOVVRMWTOF-UHFFFAOYSA-N,
ZINC82522260,
AKOS006240757,
2-methyl 2H-1,2,3-triazole 4-carboxylic acid,
2H-1,2,3-Triazole-4-carboxylic acid, 2-methyl-,
Z2027049460,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.103g/mol |
| Monoisotopic Mass | 127.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number