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278186-20-2 | 3H-Pyrazolo[3,4-b]quinoxalin-3-one, 1,2-dihydro-
CAS No: 278186-20-2 Catalog No: AG002UTQ MDL No:
Product Description
Catalog Number:
AG002UTQ
Chemical Name:
3H-Pyrazolo[3,4-b]quinoxalin-3-one, 1,2-dihydro-
CAS Number:
278186-20-2
Molecular Formula:
C9H6N4O
Molecular Weight:
186.1701
IUPAC Name:
1,2-dihydropyrazolo[4,3-b]quinoxalin-3-one
InChI:
InChI=1S/C9H6N4O/c14-9-7-8(12-13-9)11-6-4-2-1-3-5(6)10-7/h1-4H,(H2,11,12,13,14)
InChI Key:
PYBOWKRHRSYSBL-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c2c1nc1ccccc1n2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.174g/mol
Monoisotopic Mass:
186.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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