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126448-27-9 | [1,2,5]Oxadiazolo[3,4-b]quinoxaline, 1,3-dihydro-
CAS No: 126448-27-9 Catalog No: AG000STD MDL No:
Product Description
Catalog Number:
AG000STD
Chemical Name:
[1,2,5]Oxadiazolo[3,4-b]quinoxaline, 1,3-dihydro-
CAS Number:
126448-27-9
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
IUPAC Name:
4,9-dihydro-[1,2,5]oxadiazolo[3,4-b]quinoxaline
InChI:
InChI=1S/C8H6N4O/c1-2-4-6-5(3-1)9-7-8(10-6)12-13-11-7/h1-4H,(H,9,11)(H,10,12)
InChI Key:
WHMDXBDPUHMQQS-UHFFFAOYSA-N
SMILES:
O1Nc2c(N1)nc1c(n2)cccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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