| CAS Number | 1807940-05-1 |
| Catalog Number | AG01AFV0 |
| Chemical Name | (3S)-3-(tert-butoxy)pyrrolidine; oxalic acid |
| IUPAC Name | (3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine;oxalic acid |
| InChI | InChI=1S/C8H17NO.C2H2O4/c1-8(2,3)10-7-4-5-9-6-7;3-1(4)2(5)6/h7,9H,4-6H2,1-3H3;(H,3,4)(H,5,6)/t7-;/m0./s1 |
| InChI Key | FPMXVLLXTWMPDA-FJXQXJEOSA-N |
| MDL Number | MFCD27501012 |
| Molecular Formula | C10H19NO5 |
| Molecular Weight | 233.2616 |
| SMILES | CC(O[C@@H]1CNCC1)(C)C.OC(C(O)=O)=O |
| Synonyms | (3S)-3-(tert-butoxy)pyrrolidine; oxalic acid,
1807940-05-1,
NE44469,
(3S)-3-(tert-butoxy)pyrrolidine, oxalic acid,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.264g/mol |
| Monoisotopic Mass | 233.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number