| CAS Number | 1134693-74-5 |
| Catalog Number | AG01BH7U(AGN-PC-0WOQ9K) |
| Chemical Name | 2-amino-2-(4-methanesulfonylphenyl)propanoic acid |
| IUPAC Name | 2-amino-2-(4-methylsulfonylphenyl)propanoic acid |
| InChI | InChI=1S/C10H13NO4S/c1-10(11,9(12)13)7-3-5-8(6-4-7)16(2,14)15/h3-6H,11H2,1-2H3,(H,12,13) |
| InChI Key | OXYKPEXSYCFJGQ-UHFFFAOYSA-N |
| MDL Number | MFCD09942228 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CC(C1=CC=C(S(C)(=O)=O)C=C1)(C(O)=O)N |
| Synonyms | 2-amino-2-(4-methanesulfonylphenyl)propanoic acid,
1134693-74-5,
2-[4-(methylsulfonyl)phenyl]alanine,
MFCD09942228,
AKOS000188255,
AKOS022478218,
BS-12489,
Z1966484734,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.277g/mol |
| Monoisotopic Mass | 243.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.3 |
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Certificate of Analysis
Lot Number