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400080-81-1 | 3-(4-hydroperoxy-2,2-dimethylbutyl)quinoxalin-1-ium-1-olate
CAS No: 400080-81-1 Catalog No: AG01FOM9 MDL No:
Product Description
Catalog Number:
AG01FOM9
Chemical Name:
3-(4-hydroperoxy-2,2-dimethylbutyl)quinoxalin-1-ium-1-olate
CAS Number:
400080-81-1
IUPAC Name:
3-(4-hydroperoxy-2,2-dimethylbutyl)-1-oxidoquinoxalin-1-ium
InChI:
InChI=1S/C14H18N2O3/c1-14(2,7-8-19-18)9-11-10-16(17)13-6-4-3-5-12(13)15-11/h3-6,10,18H,7-9H2,1-2H3
InChI Key:
LKYJWYYLKPPTIU-UHFFFAOYSA-N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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