| CAS Number | 1372124-93-0 |
| Catalog Number | AG01FQZG(AGN-PC-3H5PB6) |
| Chemical Name | 1,3-Bis(2,4,6-trimethylphenyl)imidazolium bicarbonate, min. 97% IMesH.HCO3 |
| IUPAC Name | 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;hydrogen carbonate |
| InChI | InChI=1S/C21H25N2.CH2O3/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3)4/h7-13H,1-6H3;(H2,2,3,4)/q+1;/p-1 |
| InChI Key | XLNGZTAIJOOIFH-UHFFFAOYSA-M |
| MDL Number | MFCD28400093 |
| Molecular Formula | C22H26N2O3 |
| Molecular Weight | 366.4534 |
| SMILES | C(O)([O-])=O.C1(=C(C(=CC(=C1)C)C)N1C=[N+](C=C1)C1=C(C=C(C=C1C)C)C)C |
| Synonyms | |
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.194343g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.5g/mol |
| Monoisotopic Mass | 366.194343g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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