| CAS Number | 1864058-29-6 |
| Catalog Number | AG01APFO |
| Chemical Name | 3-(methoxymethyl)azetidin-3-ol trifluoroacetic acid |
| IUPAC Name | 3-(methoxymethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H11NO2.C2HF3O2/c1-8-4-5(7)2-6-3-5;3-2(4,5)1(6)7/h6-7H,2-4H2,1H3;(H,6,7) |
| InChI Key | FUXWUIUKLQCVIT-UHFFFAOYSA-N |
| MDL Number | MFCD29034735 |
| Molecular Formula | C7H12F3NO4 |
| Molecular Weight | 231.1697 |
| SMILES | COCC1(CNC1)O.OC(C(F)(F)F)=O |
| Synonyms | 1864058-29-6,
3-(methoxymethyl)azetidin-3-ol; trifluoroacetic acid,
3-(methoxymethyl)azetidin-3-ol, trifluoroacetic acid,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.171g/mol |
| Monoisotopic Mass | 231.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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