| CAS Number | 2059937-47-0 |
| Catalog Number | AG01C01K |
| Chemical Name | 1-[(benzyloxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid |
| IUPAC Name | 3,3-dimethyl-1-phenylmethoxycarbonylazetidine-2-carboxylic acid |
| InChI | InChI=1S/C14H17NO4/c1-14(2)9-15(11(14)12(16)17)13(18)19-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,16,17) |
| InChI Key | NSZYTQBIBSFFHI-UHFFFAOYSA-N |
| MDL Number | MFCD30497776 |
| Molecular Formula | C14H17NO4 |
| Molecular Weight | 263.2891 |
| SMILES | CC1(C(C(O)=O)N(C(OCC2=CC=CC=C2)=O)C1)C |
| Synonyms | 1-[(benzyloxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid,
2059937-47-0,
AKOS033983458,
Z2694742576,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.293g/mol |
| Monoisotopic Mass | 263.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number