| CAS Number | 261524-34-9 |
| Catalog Number | AG01ABLC(AGN-PC-04FTZY) |
| Chemical Name | 2-[4-(Methylsulfamoyl)phenyl]acetic acid |
| IUPAC Name | 2-[4-(methylsulfamoyl)phenyl]acetic acid |
| InChI | InChI=1S/C9H11NO4S/c1-10-15(13,14)8-4-2-7(3-5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12) |
| InChI Key | ZXDNTWJBNNPRLP-UHFFFAOYSA-N |
| MDL Number | MFCD09897723 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | CNS(C1=CC=C(CC(O)=O)C=C1)(=O)=O |
| Synonyms | 2-[4-(methylsulfamoyl)phenyl]acetic acid,
261524-34-9,
SCHEMBL163727,
ZXDNTWJBNNPRLP-UHFFFAOYSA-N,
ZINC11731525,
AKOS009484672,
(4-Methylsulfamoyl-phenyl)-acetic acid,
MCULE-5634561181,
NE49656,
Benzeneacetic acid, 4-[(methylamino)sulfonyl]-,
Z1688198385,
2-(4-(N-methylsulfamoyl)phenyl)acetic acid,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.25g/mol |
| Monoisotopic Mass | 229.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number