| CAS Number | 712307-63-6 |
| Catalog Number | AG019W0Y |
| Chemical Name | Ethyl (2e)-2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate |
| IUPAC Name | ethyl 2-cyano-3-(3,5-dimethoxyanilino)prop-2-enoate |
| InChI | InChI=1S/C14H16N2O4/c1-4-20-14(17)10(8-15)9-16-11-5-12(18-2)7-13(6-11)19-3/h5-7,9,16H,4H2,1-3H3 |
| InChI Key | YQEAPZFVHMNJMG-UHFFFAOYSA-N |
| MDL Number | MFCD12912800 |
| Molecular Formula | C14H16N2O4 |
| Molecular Weight | 276.2878 |
| SMILES | CCOC(C(C#N)=CNC1=CC(OC)=CC(OC)=C1)=O |
| Synonyms | 712307-63-6,
ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate,
CTK6F2727,
AKOS030633932,
MCULE-9631985945,
ethyl 2-cyano-3-(3,5-dimethoxyphenylamino)acrylate,
ethyl (2E)-2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.292g/mol |
| Monoisotopic Mass | 276.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number