| CAS Number | 374067-95-5 |
| Catalog Number | AG00C9VF(AGN-PC-0NCOVZ) |
| Chemical Name | 2-methyl-2-(4-sulfamoylphenyl)propanoic acid |
| IUPAC Name | 2-methyl-2-(4-sulfamoylphenyl)propanoic acid |
| InChI | InChI=1S/C10H13NO4S/c1-10(2,9(12)13)7-3-5-8(6-4-7)16(11,14)15/h3-6H,1-2H3,(H,12,13)(H2,11,14,15) |
| InChI Key | WGTDUMWGEIZVMI-UHFFFAOYSA-N |
| MDL Number | MFCD09907833 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CC(C1=CC=C(S(N)(=O)=O)C=C1)(C(O)=O)C |
| Synonyms | 374067-95-5,
2-methyl-2-(4-sulfamoylphenyl)propanoic Acid,
2-Methyl-2-(4-sulfamoylphenyl)propionic Acid,
CTK4H8107,
DTXSID00448125,
ZINC22063691,
ACM374067955,
RT-007887,
FT-0672145,
4-(Aminosulfonyl)-|A,|A-dimethyl-benzeneacetic Acid,
CID10911730,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.277g/mol |
| Monoisotopic Mass | 243.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 106A^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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