| CAS Number | 201733-74-6 |
| Catalog Number | AG019LDK(AGN-PC-05EZMY) |
| Chemical Name | ethyl 2-cyano-3-(thiophen-2-yl)but-2-enoate |
| IUPAC Name | ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate |
| InChI | InChI=1S/C11H11NO2S/c1-3-14-11(13)9(7-12)8(2)10-5-4-6-15-10/h4-6H,3H2,1-2H3 |
| InChI Key | SZWLAJXMAPFGKS-UHFFFAOYSA-N |
| MDL Number | MFCD09863437 |
| Molecular Formula | C11H11NO2S |
| Molecular Weight | 221.2755 |
| SMILES | CCOC(C(C#N)=C(C1SC=CC=1)C)=O |
| Synonyms | ethyl 2-cyano-3-(thiophen-2-yl)but-2-enoate,
201733-74-6,
AC1NFJ23,
SCHEMBL2369341,
CTK6F2698,
AKOS033191360,
MCULE-7272783566,
ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate,
Z1250132449,
CID4684357,
Ethyl 2-cyano-3-thiophen-2-yl-but-2-enoate,
ethyl (2E)-2-cyano-3-thien-2-ylbut-2-enoate,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.274g/mol |
| Monoisotopic Mass | 221.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number