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66664-90-2 | 1,2-Propanedione, 1-(4-imino-1,4-dihydro-1-pyridyl)-, dioxime
CAS No: 66664-90-2 Catalog No: AG00FXU2 MDL No:
Product Description
Catalog Number:
AG00FXU2
Chemical Name:
1,2-Propanedione, 1-(4-imino-1,4-dihydro-1-pyridyl)-, dioxime
CAS Number:
66664-90-2
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
IUPAC Name:
(NE)-N-[(1E)-1-hydroxyimino-1-(4-iminopyridin-1-yl)propan-2-ylidene]hydroxylamine
InChI:
InChI=1S/C8H10N4O2/c1-6(10-13)8(11-14)12-4-2-7(9)3-5-12/h2-5,9,13-14H,1H3/b10-6+,11-8+
InChI Key:
XLZQPOVUUITHNG-NSJFVGFPSA-N
SMILES:
ON=C(C(=NO)C)n1ccc(=N)cc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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