| CAS Number | 1245644-44-3 |
| Catalog Number | AG00A0NT(AGN-PC-0WBSKL) |
| Chemical Name | Methyl 4-ethyl-2-methyl-1H-imidazole-5-carboxylate |
| IUPAC Name | methyl 5-ethyl-2-methyl-1H-imidazole-4-carboxylate |
| InChI | InChI=1S/C8H12N2O2/c1-4-6-7(8(11)12-3)10-5(2)9-6/h4H2,1-3H3,(H,9,10) |
| InChI Key | BRWMAPAQXFOWFV-UHFFFAOYSA-N |
| MDL Number | MFCD12756158 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | C(C)C=1N=C(NC1C(=O)OC)C |
| Synonyms | methyl 4-ethyl-2-methyl-1H-imidazole-5-carboxylate,
1245644-44-3,
MFCD12756158,
ZINC51971894,
AKOS022177020,
CS-W023205,
AJ-112018,
DB-012470,
FT-0711498,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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