| CAS Number | 1219828-33-7 |
| Catalog Number | AG0016HO(AGN-PC-085FBJ) |
| Chemical Name | 1-(Ethanesulfonyl)azetidine-3-carboxylic acid |
| IUPAC Name | 1-ethylsulfonylazetidine-3-carboxylic acid |
| InChI | InChI=1S/C6H11NO4S/c1-2-12(10,11)7-3-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9) |
| InChI Key | GSAXUQYIQDBQMC-UHFFFAOYSA-N |
| MDL Number | MFCD16653315 |
| Molecular Formula | C6H11NO4S |
| Molecular Weight | 193.2208 |
| SMILES | CCS(N1CC(C(O)=O)C1)(=O)=O |
| Synonyms | 1219828-33-7,
1-(Ethylsulfonyl)azetidine-3-carboxylic acid,
1-(Ethanesulfonyl)azetidine-3-carboxylic acid,
ACMC-209ajd,
CTK8A9486,
DTXSID20677753,
ANW-17927,
MFCD16653315,
ZINC43830507,
AKOS006333006,
AJ-109065,
TC-106672,
ST24021166,
Z8575,
3-Azetidinecarboxylic acid, 1-(ethylsulfonyl)-,
B-6681,
I04-2072,
F2158-1527,
C6H11NO4S,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.217g/mol |
| Monoisotopic Mass | 193.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number