| CAS Number | 53841-58-0 |
| Catalog Number | AG00DCXE(AGN-PC-0OBZ17) |
| Chemical Name | 2-(Pentafluoropropenyl)acetate |
| IUPAC Name | (E)-3,4,5,5,5-pentafluoropent-3-enoic acid |
| InChI | InChI=1S/C5H3F5O2/c6-2(1-3(11)12)4(7)5(8,9)10/h1H2,(H,11,12)/b4-2+ |
| InChI Key | LXLSCUIGXWSTAC-DUXPYHPUSA-N |
| MDL Number | MFCD04038872 |
| Molecular Formula | C5H2F5O2 |
| Molecular Weight | 189.0602 |
| SMILES | CC(=O)OC(=C(F)F)C(F)(F)F |
| Synonyms | 2-(Pentafluoropropenyl)acetate,
53841-58-0,
ZINC19735236,
AKOS006228328,
Y-9931,
(3E)-3,4,5,5,5-pentafluoropent-3-enoic acid,
(E)-3,4,5,5,5-pentafluoropent-3-enoic acid,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 190.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.069g/mol |
| Monoisotopic Mass | 190.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number