| CAS Number | 1648864-57-6 |
| Catalog Number | AG00HZ40(AGN-PC-0WOBFV) |
| Chemical Name | N-BOC-3-[(2-ethoxy-2-oxoethane)sulfonyl]azetidine |
| IUPAC Name | tert-butyl 3-(2-ethoxy-2-oxoethyl)sulfonylazetidine-1-carboxylate |
| InChI | InChI=1S/C12H21NO6S/c1-5-18-10(14)8-20(16,17)9-6-13(7-9)11(15)19-12(2,3)4/h9H,5-8H2,1-4H3 |
| InChI Key | IGXXGOLIRLUANO-UHFFFAOYSA-N |
| MDL Number | MFCD27578179 |
| Molecular Formula | C12H21NO6S |
| Molecular Weight | 307.3632 |
| SMILES | CCOC(=O)CS(=O)(=O)C1CN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1648864-57-6,
N-BOC-3-[(2-ethoxy-2-oxoethane)sulfonyl]azetidine,
C12H21NO6S,
SCHEMBL16415500,
MFCD27578179,
ZINC97743323,
AKOS026673520,
Y2962,
tert-Butyl 3-((2-ethoxy-2-oxoethyl)sulfonyl)azetidine-1-carboxylate,
tert-butyl 3-((ethoxycarbonyl)methylsulfonyl)azetidine-1-carboxylate,
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| Complexity | 467 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.361g/mol |
| Monoisotopic Mass | 307.109g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 98.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number