| CAS Number | 1955507-13-7 |
| Catalog Number | AG01C1N6 |
| Chemical Name | lithium(1+) ion 5-methyl-1H-1,2,4-triazole-3-carboxylate |
| IUPAC Name | lithium;5-methyl-1H-1,2,4-triazole-3-carboxylate |
| InChI | InChI=1S/C4H5N3O2.Li/c1-2-5-3(4(8)9)7-6-2;/h1H3,(H,8,9)(H,5,6,7);/q;+1/p-1 |
| InChI Key | MNZVFHNNEYBLQZ-UHFFFAOYSA-M |
| MDL Number | MFCD29047370 |
| Molecular Formula | C4H4LiN3O2 |
| Molecular Weight | 133.0345 |
| SMILES | [Li+].CC1NN=C(C([O-])=O)N=1 |
| Synonyms | EN300-247895,
lithium(1+) ion 5-methyl-1H-1,2,4-triazole-3-carboxylate,
1955507-13-7,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.035g/mol |
| Monoisotopic Mass | 133.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number