| CAS Number | 1214790-33-6 |
| Catalog Number | AG01C1ZN |
| Chemical Name | (2E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-enoic acid |
| IUPAC Name | (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C11H9F3O3/c1-17-9-6-8(11(12,13)14)4-2-7(9)3-5-10(15)16/h2-6H,1H3,(H,15,16)/b5-3+ |
| InChI Key | GWCJMKSOPUUFDP-HWKANZROSA-N |
| MDL Number | MFCD13185687 |
| Molecular Formula | C11H9F3O3 |
| Molecular Weight | 246.1826 |
| SMILES | COC1=C(/C=C/C(O)=O)C=CC(C(F)(F)F)=C1 |
| Synonyms | 1214790-33-6,
3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-enoic acid,
AKOS033817648,
ZINC299805276,
2-methoxy-4-(trifluoromethyl)cinnamic acid,
EN300-249272,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 246.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.185g/mol |
| Monoisotopic Mass | 246.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number