| CAS Number | 2126176-77-8 |
| Catalog Number | AG01EKEX |
| Chemical Name | 2-hydroxy-2,2-bis(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid dihydrochloride |
| IUPAC Name | 2-hydroxy-2,2-bis(2-methyl-1,2,4-triazol-3-yl)acetic acid;dihydrochloride |
| InChI | InChI=1S/C8H10N6O3.2ClH/c1-13-5(9-3-11-13)8(17,7(15)16)6-10-4-12-14(6)2;;/h3-4,17H,1-2H3,(H,15,16);2*1H |
| InChI Key | KGVRPQQKYGBTRV-UHFFFAOYSA-N |
| MDL Number | MFCD31381119 |
| Molecular Formula | C8H12Cl2N6O3 |
| Molecular Weight | 311.1253 |
| SMILES | Cl.Cl.CN1C(C(C2N(C)N=CN=2)(C(O)=O)O)=NC=N1 |
| Synonyms | 2-Hydroxy-2,2-bis(1-methyl-1H-1,2,4-triazol-5-yl)acetic acid dihydrochloride,
2126176-77-8,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.123g/mol |
| Monoisotopic Mass | 310.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number