| CAS Number | 121781-56-4 |
| Catalog Number | AG01E8NF(AGN-PC-0O0C3L) |
| Chemical Name | (3E)-4-ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one |
| IUPAC Name | (E)-4-ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one |
| InChI | InChI=1S/C7H9F3O2/c1-3-12-4-5(2)6(11)7(8,9)10/h4H,3H2,1-2H3/b5-4+ |
| InChI Key | MDSDQULKLSBZHK-SNAWJCMRSA-N |
| MDL Number | MFCD30730450 |
| Molecular Formula | C7H9F3O2 |
| Molecular Weight | 182.1404 |
| SMILES | CCO/C=C(/C(C(F)(F)F)=O)C |
| Synonyms | SCHEMBL3480828,
MDSDQULKLSBZHK-SNAWJCMRSA-N,
121781-56-4,
1,1,1-Trifluoro-4-ethoxy-3-methyl-3-buten-2-one,
(E)-4-Ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one,
(3E)-4-ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one, E,
CID10997657,
(E)-4-ethoxy-1,1,1-trifluoro-3-methyl-but-3-en-2-one,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 182.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.142g/mol |
| Monoisotopic Mass | 182.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number