| CAS Number | 1989672-85-6 |
| Catalog Number | AG01B6TP |
| Chemical Name | sodium 4,5-dimethyl-1H-imidazole-2-carboxylate |
| IUPAC Name | sodium;4,5-dimethyl-1H-imidazole-2-carboxylate |
| InChI | InChI=1S/C6H8N2O2.Na/c1-3-4(2)8-5(7-3)6(9)10;/h1-2H3,(H,7,8)(H,9,10);/q;+1/p-1 |
| InChI Key | MKFKJVPYTNDOQB-UHFFFAOYSA-M |
| MDL Number | MFCD30342941 |
| Molecular Formula | C6H7N2NaO2 |
| Molecular Weight | 162.1217 |
| SMILES | [Na+].CC1=C(C)NC(C([O-])=O)=N1 |
| Synonyms | sodium 4,5-dimethyl-1H-imidazole-2-carboxylate,
1989672-85-6,
Z2583036290,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.124g/mol |
| Monoisotopic Mass | 162.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number