| CAS Number | 61759-00-0 |
| Catalog Number | AG019ORW(AGN-PC-0LWHEP) |
| Chemical Name | 3-(phenylsulfamoyl)propanoic Acid |
| IUPAC Name | 3-(phenylsulfamoyl)propanoic acid |
| InChI | InChI=1S/C9H11NO4S/c11-9(12)6-7-15(13,14)10-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12) |
| InChI Key | UYRCRWSSMXOTTI-UHFFFAOYSA-N |
| MDL Number | MFCD07366453 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | OC(CCS(NC1=CC=CC=C1)(=O)=O)=O |
| Synonyms | 3-(phenylsulfamoyl)propanoic Acid,
61759-00-0,
3-(anilinosulfonyl)propanoic acid,
AC1OEVJ8,
AC1Q75QJ,
CTK2D2962,
DTXSID70427684,
HMS1748M04,
ZINC3888546,
AKOS009038807,
MCULE-6236804001,
NE35062,
NCGC00333833-01,
Propanoic acid, 3-[(phenylamino)sulfonyl]-,
EN300-15024,
AB01323805-02,
Z118438298,
CID7063861,
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| Complexity | 301 |
| 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 | 5 |
| 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
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Certificate of Analysis
Lot Number