| CAS Number | 1446012-46-9 |
| Catalog Number | AG00HX6C(AGN-PC-0WG40N) |
| Chemical Name | tert-butyl 3-(but-3-en-1-yl)-3-hydroxyazetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-but-3-enyl-3-hydroxyazetidine-1-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-5-6-7-12(15)8-13(9-12)10(14)16-11(2,3)4/h5,15H,1,6-9H2,2-4H3 |
| InChI Key | BEBZYARESSLCRK-UHFFFAOYSA-N |
| MDL Number | MFCD28991827 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | CC(C)(C)OC(=O)N1CC(O)(CCC=C)C1 |
| Synonyms | 1446012-46-9,
tert-Butyl 3-(but-3-enyl)-3-hydroxyazetidine-1-carboxylate,
tert-Butyl 3-(but-3-en-1-yl)-3-hydroxyazetidine-1-carboxylate,
MFCD28991827,
ZINC205247821,
CS-0035619,
tert-butyl 3-but-3-enyl-3-hydroxyazetidine-1-carboxylate,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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