| CAS Number | 1499238-81-1 |
| Catalog Number | AG01DES2(AGN-PC-0WCNBD) |
| Chemical Name | Ethyl1-(2-Ethoxy-2-oxoethyl)-1H-imidazole-4-carboxylate |
| IUPAC Name | ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate |
| InChI | InChI=1S/C10H14N2O4/c1-3-15-9(13)6-12-5-8(11-7-12)10(14)16-4-2/h5,7H,3-4,6H2,1-2H3 |
| InChI Key | KWKBCNQBNHLQAA-UHFFFAOYSA-N |
| MDL Number | MFCD28388515 |
| Molecular Formula | C10H14N2O4 |
| Molecular Weight | 226.2292 |
| SMILES | CCOC(=O)CN1C=C(N=C1)C(=O)OCC |
| Synonyms | ethyl 1-(2-ethoxy-2-oxoethyl)-1H-imidazole-4-carboxylate,
1499238-81-1,
MFCD28388515,
AKOS025312624,
ZINC225393236,
CS-12806,
SY225283,
MFCD28388515 (95%),
F1902-0059,
ethyl 1-(2-ethoxy-2-oxoethyl)imidazole-4-carboxylate,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.232g/mol |
| Monoisotopic Mass | 226.095g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number