| CAS Number | 110654-41-6 |
| Catalog Number | AG01A7T2(AGN-PC-03FTAG) |
| Chemical Name | 4-(Sulfamoylmethyl)benzoic acid |
| IUPAC Name | 4-(sulfamoylmethyl)benzoic acid |
| InChI | InChI=1S/C8H9NO4S/c9-14(12,13)5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)(H2,9,12,13) |
| InChI Key | RSQIWTKFJBNPJE-UHFFFAOYSA-N |
| MDL Number | MFCD11647509 |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.2264 |
| SMILES | NS(CC1=CC=C(C(O)=O)C=C1)(=O)=O |
| Synonyms | 4-(sulfamoylmethyl)benzoic acid,
110654-41-6,
AC1Q55GJ,
4-Carboxyphenylmethansulfonamid,
SCHEMBL12169130,
CTK7I7942,
ZINC36968815,
4-[(Aminosulfonyl)methyl]benzoic acid,
AKOS009159091,
MCULE-6610774628,
NE15243,
EN300-59722,
Z939944674,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.223g/mol |
| Monoisotopic Mass | 215.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number