| CAS Number | 2095409-44-0 |
| Catalog Number | AG01E82F |
| Chemical Name | 2-[(pyridin-2-yl)methoxy]acetic acid; trifluoroacetic acid |
| IUPAC Name | 2-(pyridin-2-ylmethoxy)acetic acid;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C8H9NO3.C2HF3O2/c10-8(11)6-12-5-7-3-1-2-4-9-7;3-2(4,5)1(6)7/h1-4H,5-6H2,(H,10,11);(H,6,7) |
| InChI Key | BJACQHDYWWHDNC-UHFFFAOYSA-N |
| MDL Number | MFCD30734207 |
| Molecular Formula | C10H10F3NO5 |
| Molecular Weight | 281.1853 |
| SMILES | OC(COCC1=NC=CC=C1)=O.OC(C(F)(F)F)=O |
| Synonyms | 2-[(Pyridin-2-yl)methoxy]acetic acid; trifluoroacetic acid,
2095409-44-0,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.187g/mol |
| Monoisotopic Mass | 281.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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