| CAS Number | 75716-82-4 |
| Catalog Number | AG00ICNS(AGN-PC-0U80SP) |
| Chemical Name | ethyl 2-(1H-imidazol-1-yl)-2-oxoacetate |
| IUPAC Name | ethyl 2-imidazol-1-yl-2-oxoacetate |
| InChI | InChI=1S/C7H8N2O3/c1-2-12-7(11)6(10)9-4-3-8-5-9/h3-5H,2H2,1H3 |
| InChI Key | CAAIBUKGGKFUKU-UHFFFAOYSA-N |
| MDL Number | MFCD21362621 |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.1500 |
| SMILES | CCOC(=O)C(=O)N1C=CN=C1 |
| Synonyms | ethyl 2-(1H-imidazol-1-yl)-2-oxoacetate,
75716-82-4,
imidazol-1-yl-oxo-acetic acid ethyl ester,
SCHEMBL2218227,
CAAIBUKGGKFUKU-UHFFFAOYSA-N,
MFCD21362621,
ZINC39255695,
SB21945,
AS-51548,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.152g/mol |
| Monoisotopic Mass | 168.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number