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Home > Nitro Compounds > 68777-99-1
68777-99-1 | 2-Pentanone, 4-methyl-4-nitroso-, dimer
CAS No: 68777-99-1 Catalog No: AG00G0IY MDL No:
Product Description
Catalog Number:
AG00G0IY
Chemical Name:
2-Pentanone, 4-methyl-4-nitroso-, dimer
CAS Number:
68777-99-1
IUPAC Name:
(E)-(2-methyl-4-oxopentan-2-yl)-[(2-methyl-4-oxopentan-2-yl)-oxidoazaniumylidene]-oxidoazanium
InChI:
InChI=1S/C12H22N2O4/c1-9(15)7-11(3,4)13(17)14(18)12(5,6)8-10(2)16/h7-8H2,1-6H3/b14-13+
InChI Key:
YHJZBAPPDJDZKH-BUHFOSPRSA-N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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