| CAS Number | 1193390-35-0 |
| Catalog Number | AG019WJZ(AGN-PC-0WOAAW) |
| Chemical Name | 3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}propanoic acid |
| IUPAC Name | 3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C6H8F3NO4/c7-6(8,9)3-14-5(13)10-2-1-4(11)12/h1-3H2,(H,10,13)(H,11,12) |
| InChI Key | DXOIWHMKTOCHCM-UHFFFAOYSA-N |
| MDL Number | MFCD12913077 |
| Molecular Formula | C6H8F3NO4 |
| Molecular Weight | 215.1272 |
| SMILES | OC(CCNC(OCC(F)(F)F)=O)=O |
| Synonyms | 3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}propanoic acid,
1193390-35-0,
AC1Q75NP,
CTK7J4337,
ZINC36379850,
AKOS010291906,
MCULE-3471931904,
NE15639,
EN300-52205,
Z752989158,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.128g/mol |
| Monoisotopic Mass | 215.041g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number