| CAS Number | 2089257-27-0 |
| Catalog Number | AG01E8YF |
| Chemical Name | Oxalic acid; tert-butyl 2-(azetidin-3-yl)acetate |
| IUPAC Name | tert-butyl 2-(azetidin-3-yl)acetate;oxalic acid |
| InChI | InChI=1S/C9H17NO2.C2H2O4/c1-9(2,3)12-8(11)4-7-5-10-6-7;3-1(4)2(5)6/h7,10H,4-6H2,1-3H3;(H,3,4)(H,5,6) |
| InChI Key | KCEHRKLZEXDMQW-UHFFFAOYSA-N |
| MDL Number | MFCD30539787 |
| Molecular Formula | C11H19NO6 |
| Molecular Weight | 261.2717 |
| SMILES | CC(OC(CC1CNC1)=O)(C)C.OC(C(O)=O)=O |
| Synonyms | Oxalic acid; tert-butyl 2-(azetidin-3-yl)acetate,
2089257-27-0,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.274g/mol |
| Monoisotopic Mass | 261.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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