| CAS Number | 1330766-15-8 |
| Catalog Number | AG01BBIX |
| Chemical Name | tert-butyl 3-(cyanomethyl)-3-hydroxyazetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(cyanomethyl)-3-hydroxyazetidine-1-carboxylate |
| InChI | InChI=1S/C10H16N2O3/c1-9(2,3)15-8(13)12-6-10(14,7-12)4-5-11/h14H,4,6-7H2,1-3H3 |
| InChI Key | WGMMMLPEBWKEGW-UHFFFAOYSA-N |
| MDL Number | MFCD20230559 |
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.2456 |
| SMILES | CC(OC(N1CC(CC#N)(O)C1)=O)(C)C |
| Synonyms | tert-butyl 3-(cyanomethyl)-3-hydroxyazetidine-1-carboxylate,
1330766-15-8,
ZINC85452432,
AKOS017581161,
FCH5669077,
1-Boc-3-hydroxy-3-cyanomethylazetidine,
BBV-41815970,
EN300-214226,
1429122-65-5,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.249g/mol |
| Monoisotopic Mass | 212.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number