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89084-60-6 | 3-Descarboxy Imazethapyr
CAS No: 89084-60-6 Catalog No: AG01FO0R MDL No:
Product Description
Catalog Number:
AG01FO0R
Chemical Name:
3-Descarboxy Imazethapyr
CAS Number:
89084-60-6
IUPAC Name:
2-(5-ethylpyridin-2-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
InChI:
InChI=1S/C14H19N3O/c1-5-10-6-7-11(15-8-10)12-16-13(18)14(4,17-12)9(2)3/h6-9H,5H2,1-4H3,(H,16,17,18)
InChI Key:
VJPWANUEKPAZNG-UHFFFAOYSA-N
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.326g/mol
Monoisotopic Mass:
245.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Aqua-[2-(5-ethyl-2-pyridyl-κN)-4-iso-propyl-4-methyl-5-oxo-4,5-dihydroxy-imidazol-1-ido-κN](5-methyl-1H-pyrazole-3-carboxyl-ato-κN,O)copper(II) 1.33-hydrate. | Acta crystallographica. Section E, Structure reports online 20100101 |
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