| CAS Number | 1334499-99-8 |
| Catalog Number | AG0080HH(AGN-PC-0AC0W2) |
| Chemical Name | Methyl 1-(benzenesulfonyl)azetidine-3-carboxylate |
| IUPAC Name | methyl 1-(benzenesulfonyl)azetidine-3-carboxylate |
| InChI | InChI=1S/C11H13NO4S/c1-16-11(13)9-7-12(8-9)17(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3 |
| InChI Key | RJQDUKAKDSLZDL-UHFFFAOYSA-N |
| MDL Number | MFCD20231460 |
| Molecular Formula | C11H13NO4S |
| Molecular Weight | 255.2902 |
| SMILES | COC(=O)C1CN(C1)S(=O)(=O)c1ccccc1 |
| Synonyms | 1334499-99-8,
Methyl 1-(phenylsulfonyl)azetidine-3-carboxylate,
Methyl 1-(benzenesulfonyl)azetidine-3-carboxylate,
ACMC-209bs8,
CTK8B0188,
DTXSID10716509,
ANW-19542,
MFCD20231460,
ZINC74937874,
AKOS015888543,
CJ-21805,
AJ-121482,
AX8230535,
TC-108287,
ST24025121,
Z9707,
B-7156,
I01-11419,
C11H13NO4S,
Methyl1-(phenylsulfonyl)azetidine-3-carboxylate,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.288g/mol |
| Monoisotopic Mass | 255.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number