| CAS Number | 929972-15-6 |
| Catalog Number | AG019KIG |
| Chemical Name | ethyl 3-cyano-2-hydroxy-2-(1-methyl-1H-imidazol-2-yl)propanoate |
| IUPAC Name | ethyl 3-cyano-2-hydroxy-2-(1-methylimidazol-2-yl)propanoate |
| InChI | InChI=1S/C10H13N3O3/c1-3-16-9(14)10(15,4-5-11)8-12-6-7-13(8)2/h6-7,15H,3-4H2,1-2H3 |
| InChI Key | OZYCGJKFZMDCPX-UHFFFAOYSA-N |
| MDL Number | MFCD09040500 |
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.2285 |
| SMILES | CCOC(C(C1N(C)C=CN=1)(CC#N)O)=O |
| Synonyms | ethyl 3-cyano-2-hydroxy-2-(1-methyl-1H-imidazol-2-yl)propanoate,
929972-15-6,
EN300-27074,
AC1Q325O,
CTK6F4024,
AKOS023166199,
MCULE-1103783700,
NE14111,
Z235344671,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.232g/mol |
| Monoisotopic Mass | 223.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number