| CAS Number | 1249411-93-5 |
| Catalog Number | AG019Z7M(AGN-PC-0WO3FF) |
| Chemical Name | 2-(1-methyl-1H-imidazole-4-sulfonamido)acetic acid |
| IUPAC Name | 2-[(1-methylimidazol-4-yl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C6H9N3O4S/c1-9-3-5(7-4-9)14(12,13)8-2-6(10)11/h3-4,8H,2H2,1H3,(H,10,11) |
| InChI Key | VQYWQXMKYDGBEO-UHFFFAOYSA-N |
| MDL Number | MFCD16744079 |
| Molecular Formula | C6H9N3O4S |
| Molecular Weight | 219.2184 |
| SMILES | CN1C=C(S(NCC(O)=O)(=O)=O)N=C1 |
| Synonyms | 2-(1-methyl-1H-imidazole-4-sulfonamido)acetic acid,
1249411-93-5,
ZINC52096023,
AKOS011660340,
MCULE-5724919629,
NE32096,
Z1381260335,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.215g/mol |
| Monoisotopic Mass | 219.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
Lot Number