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116378-71-3 | Isoxazolo[4,5-g]quinoxaline (9CI)
CAS No: 116378-71-3 Catalog No: AG000CCF MDL No:
Product Description
Catalog Number:
AG000CCF
Chemical Name:
Isoxazolo[4,5-g]quinoxaline (9CI)
CAS Number:
116378-71-3
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
IUPAC Name:
[1,2]oxazolo[5,4-g]quinoxaline
InChI:
InChI=1S/C9H5N3O/c1-2-11-8-4-9-6(5-12-13-9)3-7(8)10-1/h1-5H
InChI Key:
GLAZOLVIJWFBRU-UHFFFAOYSA-N
SMILES:
c1cnc2c(n1)cc1c(c2)cno1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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