| CAS Number | 1274791-41-1 |
| Catalog Number | AG01BHIK(AGN-PC-0WOQ8F) |
| Chemical Name | 2-Acetamido-2-(4-methanesulfonylphenyl)propanoic acid |
| IUPAC Name | 2-acetamido-2-(4-methylsulfonylphenyl)propanoic acid |
| InChI | InChI=1S/C12H15NO5S/c1-8(14)13-12(2,11(15)16)9-4-6-10(7-5-9)19(3,17)18/h4-7H,1-3H3,(H,13,14)(H,15,16) |
| InChI Key | XHOXWQZANFLTCD-UHFFFAOYSA-N |
| MDL Number | MFCD19175505 |
| Molecular Formula | C12H15NO5S |
| Molecular Weight | 285.3162 |
| SMILES | CC(NC(C1=CC=C(S(C)(=O)=O)C=C1)(C(O)=O)C)=O |
| Synonyms | 2-acetamido-2-(4-methanesulfonylphenyl)propanoic acid,
1274791-41-1,
N-acetyl-2-[4-(methylsulfonyl)phenyl]alanine,
MFCD19175505,
AKOS006254592,
BS-12482,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.314g/mol |
| Monoisotopic Mass | 285.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number