| CAS Number | 749920-47-6 |
| Catalog Number | AG019JMO(AGN-PC-0KCECZ) |
| Chemical Name | 2-(4-Acetylbenzenesulfonamido)acetic acid |
| IUPAC Name | 2-[(4-acetylphenyl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C10H11NO5S/c1-7(12)8-2-4-9(5-3-8)17(15,16)11-6-10(13)14/h2-5,11H,6H2,1H3,(H,13,14) |
| InChI Key | LBUSREIZWCQXBJ-UHFFFAOYSA-N |
| MDL Number | MFCD06337011 |
| Molecular Formula | C10H11NO5S |
| Molecular Weight | 257.2630 |
| SMILES | CC(C1=CC=C(S(NCC(O)=O)(=O)=O)C=C1)=O |
| Synonyms | 2-(4-acetylbenzenesulfonamido)acetic acid,
{[(4-acetylphenyl)sulfonyl]amino}acetic acid,
749920-47-6,
AC1Q1JPS,
2-[(4-acetylphenyl)sulfonylamino]acetic Acid,
AC1M2N0N,
SCHEMBL5559698,
CTK7J5340,
LBUSREIZWCQXBJ-UHFFFAOYSA-N,
ZINC2656423,
AKOS008010784,
MCULE-5850703248,
NE28351,
(4-acetylbenzenesulfonylamino)acetic acid,
EN300-09847,
CID2120129,
([(4-acetylphenyl)sulfonyl]amino)acetic acid,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.26g/mol |
| Monoisotopic Mass | 257.036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number