| CAS Number | 1098374-00-5 |
| Catalog Number | AG01EHAC(AGN-PC-3H45FK) |
| Chemical Name | 4-[(Cyclopropylsulfamoyl)methyl]benzoic Acid |
| IUPAC Name | 4-(cyclopropylsulfamoylmethyl)benzoic acid |
| InChI | InChI=1S/C11H13NO4S/c13-11(14)9-3-1-8(2-4-9)7-17(15,16)12-10-5-6-10/h1-4,10,12H,5-7H2,(H,13,14) |
| InChI Key | GVELEFIGMHRGII-UHFFFAOYSA-N |
| MDL Number | MFCD11649775 |
| Molecular Formula | C11H13NO4S |
| Molecular Weight | 255.2902 |
| SMILES | OC(=O)c1ccc(cc1)CS(=O)(=O)NC1CC1 |
| Synonyms | 4-[(Cyclopropylsulfamoyl)methyl]benzoic acid,
1098374-00-5,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.288g/mol |
| Monoisotopic Mass | 255.057g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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