| CAS Number | 223567-59-7 |
| Catalog Number | AG00I4EO(AGN-PC-0WG46K) |
| Chemical Name | (E)-Ethyl 3-(2-cyanophenyl)acrylate |
| IUPAC Name | ethyl (E)-3-(2-cyanophenyl)prop-2-enoate |
| InChI | InChI=1S/C12H11NO2/c1-2-15-12(14)8-7-10-5-3-4-6-11(10)9-13/h3-8H,2H2,1H3/b8-7+ |
| InChI Key | JTCIMTCOXPDDFV-BQYQJAHWSA-N |
| MDL Number | MFCD22412826 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | CCOC(=O)C=Cc1ccccc1C#N |
| Synonyms | (E)-Ethyl 3-(2-cyanophenyl)acrylate,
223567-59-7,
SCHEMBL5317693,
SCHEMBL8050356,
2-Cyanocinnamic acid ethyl ester,
JTCIMTCOXPDDFV-BQYQJAHWSA-N,
MFCD22412826,
ZINC38609548,
3-(o-Cyanophenyl)acrylic acid ethyl ester,
Ethyl 2-cyanocinnamate,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number