2-Thiophenepropanoic acid,a-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-,(aE)-, monomethanesulfonate


Chemical Name: 2-Thiophenepropanoic acid,a-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-,(aE)-, monomethanesulfonate
CAS Number: 144143-96-4
Product Number: AG001IZZ(AGN-PC-0PV2UD)
Synonyms:
MDL No:
Molecular Formula: C24H28N2O7S2
Molecular Weight: 520.6183

Identification/Properties


Computed Properties
Molecular Weight:
520.615g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
10
Exact Mass:
520.134g/mol
Monoisotopic Mass:
520.134g/mol
Topological Polar Surface Area:
183A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
711
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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