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148819-94-7 | 1H-Imidazol-1-yloxy,2-(4-carboxyphenyl)-4,5-dihydro-4,4,5,5-tetramethyl-, 3-oxide, potassium salt(1:1)
CAS No: 148819-94-7 Catalog No: AG001L7S MDL No:
Product Description
Catalog Number:
AG001L7S
Chemical Name:
1H-Imidazol-1-yloxy,2-(4-carboxyphenyl)-4,5-dihydro-4,4,5,5-tetramethyl-, 3-oxide, potassium salt(1:1)
CAS Number:
148819-94-7
Molecular Formula:
C14H16KN2O4
Molecular Weight:
315.3861
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
SMILES:
[O-]C(=O)c1ccc(cc1)C1=[N+]([O-])C(C(N1[O])(C)C)(C)C.[K+]
Properties
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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