| CAS Number | 1172703-11-5 |
| Catalog Number | AG019U9Z(AGN-PC-0WO4F2) |
| Chemical Name | sodium 1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylate |
| IUPAC Name | sodium;1-prop-2-enylimidazole-2-carboxylate |
| InChI | InChI=1S/C7H8N2O2.Na/c1-2-4-9-5-3-8-6(9)7(10)11;/h2-3,5H,1,4H2,(H,10,11);/q;+1/p-1 |
| InChI Key | ITJLEYCDAOYKES-UHFFFAOYSA-M |
| MDL Number | MFCD11839750 |
| Molecular Formula | C7H7N2NaO2 |
| Molecular Weight | 174.1325 |
| SMILES | [Na+].[O-]C(C1N(CC=C)C=CN=1)=O |
| Synonyms | sodium 1-(prop-2-en-1-yl)-1H-imidazole-2-carboxylate,
1172703-11-5,
AC1Q1V5R,
CTK5I4942,
AKOS026727523,
MCULE-8766199522,
NE19350,
EN300-41060,
Z425484896,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.135g/mol |
| Monoisotopic Mass | 174.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number