| CAS Number | 1093114-85-2 |
| Catalog Number | AG01B6HL |
| Chemical Name | Ethyl 3-(1-methyl-1H-imidazol-4-yl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(1-methylimidazol-4-yl)-3-oxopropanoate |
| InChI | InChI=1S/C9H12N2O3/c1-3-14-9(13)4-8(12)7-5-11(2)6-10-7/h5-6H,3-4H2,1-2H3 |
| InChI Key | LJDFNSHOMHTHRE-UHFFFAOYSA-N |
| MDL Number | MFCD30344916 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CCOC(CC(C1N=CN(C)C=1)=O)=O |
| Synonyms | ethyl 3-(1-methyl-1h-imidazol-4-yl)-3-oxopropanoate,
1093114-85-2,
SCHEMBL3405237,
ZINC201037137,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number