| CAS Number | 398489-28-6 |
| Catalog Number | AG00CQ7Z(AGN-PC-0RL1CL) |
| Chemical Name | 1-Azetidinecarboxylicacid,3-ethyl-3-hydroxy-,1,1-dimethylethylester(9CI) |
| IUPAC Name | tert-butyl 3-ethyl-3-hydroxyazetidine-1-carboxylate |
| InChI | InChI=1S/C10H19NO3/c1-5-10(13)6-11(7-10)8(12)14-9(2,3)4/h13H,5-7H2,1-4H3 |
| InChI Key | SSZFIDSJDFVTML-UHFFFAOYSA-N |
| MDL Number | MFCD09264470 |
| Molecular Formula | C10H19NO3 |
| Molecular Weight | 201.2628 |
| SMILES | CCC1(CN(C1)C(=O)OC(C)(C)C)O |
| Synonyms | tert-butyl 3-ethyl-3-hydroxyazetidine-1-carboxylate,
398489-28-6,
SCHEMBL2286177,
SSZFIDSJDFVTML-UHFFFAOYSA-N,
4578AJ,
ZINC39100714,
AKOS015151337,
CS-0079104,
1-azetidinecarboxylic acid,3-ethyl-3-hydroxy-,1,1-dimethylethyl ester,
C10H19NO3,
1-Azetidinecarboxylic acid, 3-ethyl-3-hydroxy-, 1,1-dimethylethyl ester (9CI),
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.266g/mol |
| Monoisotopic Mass | 201.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number