| CAS Number | 1048963-34-3 |
| Catalog Number | AG01BDB0(AGN-PC-0WOSQU) |
| Chemical Name | 2,2-difluoro-2-(oxan-4-yl)acetic acid |
| IUPAC Name | 2,2-difluoro-2-(oxan-4-yl)acetic acid |
| InChI | InChI=1S/C7H10F2O3/c8-7(9,6(10)11)5-1-3-12-4-2-5/h5H,1-4H2,(H,10,11) |
| InChI Key | KSQYYBYUWBXIBC-UHFFFAOYSA-N |
| MDL Number | MFCD20659124 |
| Molecular Formula | C7H10F2O3 |
| Molecular Weight | 180.1493 |
| SMILES | OC(C(C1CCOCC1)(F)F)=O |
| Synonyms | 2,2-difluoro-2-(oxan-4-yl)acetic acid,
1048963-34-3,
Difluoro-(tetrahydro-pyran-4-yl)-acetic acid,
SCHEMBL3465050,
ZINC88248380,
AKOS023880171,
MCULE-6525109642,
NE52031,
Z1837073475,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.151g/mol |
| Monoisotopic Mass | 180.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number