| CAS Number | 1955548-76-1 |
| Catalog Number | AG01B5HX |
| Chemical Name | 7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid |
| IUPAC Name | 7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid |
| InChI | InChI=1S/C7H8F2O3/c8-7(9)4-2-1-3-12-6(4,7)5(10)11/h4H,1-3H2,(H,10,11) |
| InChI Key | UDPRWNCDCYXBRH-UHFFFAOYSA-N |
| MDL Number | MFCD30181092 |
| Molecular Formula | C7H8F2O3 |
| Molecular Weight | 178.1334 |
| SMILES | OC(C12C(F)(F)C1CCCO2)=O |
| Synonyms | 7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid,
1955548-76-1,
AKOS034121815,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.135g/mol |
| Monoisotopic Mass | 178.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number