| CAS Number | 1396996-17-0 |
| Catalog Number | AG019V85(AGN-PC-0WO0GZ) |
| Chemical Name | 2-(3,3,3-Trifluoropropanamido)propanoic acid |
| IUPAC Name | 2-(3,3,3-trifluoropropanoylamino)propanoic acid |
| InChI | InChI=1S/C6H8F3NO3/c1-3(5(12)13)10-4(11)2-6(7,8)9/h3H,2H2,1H3,(H,10,11)(H,12,13) |
| InChI Key | QMMJDJSJEGCIIM-UHFFFAOYSA-N |
| MDL Number | MFCD09046286 |
| Molecular Formula | C6H8F3NO3 |
| Molecular Weight | 199.1278 |
| SMILES | CC(C(O)=O)NC(CC(F)(F)F)=O |
| Synonyms | 2-(3,3,3-trifluoropropanamido)propanoic acid,
1396996-17-0,
AC1Q2BIB,
CTK6A3380,
AKOS000129900,
AKOS016900749,
MCULE-9364100489,
NE56113,
EN300-44049,
AB00997249-01,
Z451452424,
2-[(3,3,3-trifluoropropanoyl)amino]propanoic acid, AldrichCPR,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.129g/mol |
| Monoisotopic Mass | 199.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number