| CAS Number | 148819-94-7 |
| Catalog Number | AG001L7S(AGN-PC-0Q2EW9) |
| Chemical Name | 1H-Imidazol-1-yloxy,2-(4-carboxyphenyl)-4,5-dihydro-4,4,5,5-tetramethyl-, 3-oxide, potassium salt(1:1) |
| IUPAC Name | potassium;4-(4,4,5,5-tetramethyl-1,3-dioxidoimidazol-1-ium-2-yl)benzoic acid |
| InChI | InChI=1S/C14H17N2O4.K/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18;/h5-8H,1-4H3,(H,17,18);/q-1;+1 |
| InChI Key | CUYIQXAMAUOMKG-UHFFFAOYSA-N |
| MDL Number | MFCD00216153 |
| Molecular Formula | C14H18KN2O4 |
| Molecular Weight | 317.4020 |
| SMILES | [O]N1C(C)(C)C(C)(C)N(=C1C2=CC=C(C(O)=O)C=C2)=O.[KH] |
| Synonyms | 148819-94-7,
J-008517,
potassium ion 2-(4-carboxylatophenyl)-3-hydroxy-4,4,5,5-tetramethylimidazol-1-ium-1-olate,
[[[2-[4-(Potassiooxycarbonyl)phenyl]-4,4,5,5-tetramethyl-2-imidazoline 3-oxide]-1-yl]oxy]radical,
carboxy-ptio,
Carboxy-ptio, potassium salt,
Carboxy-PTIO potassium salt,
MFCD00216153,
2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide,
[O]N(C(C)1C)C(C2=CC=C(C([O-])=O)C=C2)=[N+]([O-])C1(C)C.[K+],
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| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.398g/mol |
| Monoisotopic Mass | 316.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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