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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)N[C@@H](COCC#C)C(=O)O |
|---|---|
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-ynoxypropanoic acid |
| InChIKey | NFJGVLNEGPVSTA-QMMMGPOBSA-N |
| INCHI | 1S/C11H17NO5/c1-5-6-16-7-8(9(13)14)12-10(15)17-11(2,3)4/h1,8H,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m0/s1 |
| Molecular Weight | 243.260 |
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View spec sheet →| Molecular Weight | 243.260 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 243.111 Da |
| Monoisotopic Mass | 243.111 Da |
| Topological Polar Surface Area | 84.900 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 322.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |