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313553-93-4 | 1H-Imidazo[4,5-c][1,2,5]oxadiazol-5(3H)-one
CAS No: 313553-93-4 Catalog No: AG007H9N MDL No:
Product Description
Catalog Number:
AG007H9N
Chemical Name:
1H-Imidazo[4,5-c][1,2,5]oxadiazol-5(3H)-one
CAS Number:
313553-93-4
Molecular Formula:
C3H2N4O2
Molecular Weight:
126.0736
IUPAC Name:
4,6-dihydroimidazo[4,5-c][1,2,5]oxadiazol-5-one
InChI:
InChI=1S/C3H2N4O2/c8-3-4-1-2(5-3)7-9-6-1/h(H2,4,5,6,7,8)
InChI Key:
QGWSJPZUCIJFPN-UHFFFAOYSA-N
SMILES:
O=C1N=C2C(=N1)NON2
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.018g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.075g/mol
Monoisotopic Mass:
126.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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