| CAS Number | 757192-71-5 |
| Catalog Number | AG00G3V2 |
| Chemical Name | 3-(4-Acetylphenylsulfonamido)propanoic acid |
| IUPAC Name | 3-[(4-acetylphenyl)sulfonylamino]propanoic acid |
| InChI | InChI=1S/C11H13NO5S/c1-8(13)9-2-4-10(5-3-9)18(16,17)12-7-6-11(14)15/h2-5,12H,6-7H2,1H3,(H,14,15) |
| InChI Key | MSLGKCLYKIHMBJ-UHFFFAOYSA-N |
| MDL Number | MFCD06340081 |
| Molecular Formula | C11H13NO5S |
| Molecular Weight | 271.2896 |
| SMILES | O=C(O)CCNS(=O)(C1=CC=C(C(C)=O)C=C1)=O |
| Synonyms | 757192-71-5,
3-{[(4-acetylphenyl)sulfonyl]amino}propanoic acid,
3-(4-acetylbenzenesulfonamido)propanoic acid,
3-[[(4-acetylphenyl)sulfonyl]amino]propanoic acid,
3-(4-Acetylphenylsulfonamido)propanoic acid,
AC1Q1JPY,
AC1M1KF9,
3-[(4-acetylphenyl)sulfonylamino]propanoic Acid,
CTK7J4417,
ZINC2661397,
AKOS008009770,
MCULE-9289102327,
NE23818,
NCGC00339532-01,
EN300-10081,
AB01332628-02,
J-511485,
CID2125312,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.287g/mol |
| Monoisotopic Mass | 271.051g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number