| CAS Number | 1797367-92-0 |
| Catalog Number | AG01ABRJ(AGN-PC-0WO76A) |
| Chemical Name | 3-(Trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| IUPAC Name | 3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C8H9F3O3/c9-8(10,11)6-4-2-1-3(14-4)5(6)7(12)13/h3-6H,1-2H2,(H,12,13) |
| InChI Key | AUZBEXWVMFBWAT-UHFFFAOYSA-N |
| MDL Number | MFCD27959347 |
| Molecular Formula | C8H9F3O3 |
| Molecular Weight | 210.1505 |
| SMILES | OC(C1C2OC(CC2)C1C(F)(F)F)=O |
| Synonyms | 3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid,
1797367-92-0,
AKOS026728420,
MCULE-7383511773,
Z1787355495,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.152g/mol |
| Monoisotopic Mass | 210.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number