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89356-40-1 | Ethanone, 1-(2,4,5-trimethyl-1-oxido-2H-imidazol-2-yl)-, oxime
CAS No: 89356-40-1 Catalog No: AG003Z7X MDL No:
Product Description
Catalog Number:
AG003Z7X
Chemical Name:
Ethanone, 1-(2,4,5-trimethyl-1-oxido-2H-imidazol-2-yl)-, oxime
CAS Number:
89356-40-1
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
IUPAC Name:
N-[1-(2,4,5-trimethyl-1-oxidoimidazol-1-ium-2-yl)ethylidene]hydroxylamine
InChI:
InChI=1S/C8H13N3O2/c1-5-6(2)11(13)8(4,9-5)7(3)10-12/h12H,1-4H3
InChI Key:
WADAUYJXGIHHQB-UHFFFAOYSA-N
SMILES:
ON=C(C1(C)N=C(C(=[N+]1[O-])C)C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.7
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