| CAS Number | 1249269-64-4 |
| Catalog Number | AG01EGV7 |
| Chemical Name | methyl 2-(propan-2-yl)-1H-imidazole-4-carboxylate |
| IUPAC Name | methyl 2-propan-2-yl-1H-imidazole-5-carboxylate |
| InChI | InChI=1S/C8H12N2O2/c1-5(2)7-9-4-6(10-7)8(11)12-3/h4-5H,1-3H3,(H,9,10) |
| InChI Key | RTORDFSBXDPJNX-UHFFFAOYSA-N |
| MDL Number | MFCD16699425 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | O=C(OC)C1=CNC(C(C)C)=N1 |
| Synonyms | Methyl 2-isopropyl-1H-imidazole-4-carboxylate,
SCHEMBL1830560,
SCHEMBL8225066,
RTORDFSBXDPJNX-UHFFFAOYSA-N,
ZINC51170834,
AKOS011533348,
1249269-64-4,
Methyl 2-isopropyl-1H-imidazole-5-carboxylate,
methyl 2-(propan-2-yl)-1H-imidazole-4-carboxylate,
F8882-9296,
|
| Complexity | 170 |
| 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 | 1.4 |
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Certificate of Analysis
Lot Number