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1457-42-7 | Pyridazine, 1-oxide
CAS No: 1457-42-7 Catalog No: AG001DC0 MDL No:
Product Description
Catalog Number:
AG001DC0
Chemical Name:
Pyridazine, 1-oxide
CAS Number:
1457-42-7
Molecular Formula:
C4H4N2O
Molecular Weight:
96.0874
IUPAC Name:
1-oxidopyridazin-1-ium
InChI:
InChI=1S/C4H4N2O/c7-6-4-2-1-3-5-6/h1-4H
InChI Key:
GAJBWMUZVXJIBO-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccccn1
NSC Number:
343739
Properties
Complexity:
57.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.032g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.089g/mol
Monoisotopic Mass:
96.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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