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19194-90-2 | Pyridazine, 3,6-dimethyl-, 1,2-dioxide
CAS No: 19194-90-2 Catalog No: AG002FKQ MDL No:
Product Description
Catalog Number:
AG002FKQ
Chemical Name:
Pyridazine, 3,6-dimethyl-, 1,2-dioxide
CAS Number:
19194-90-2
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
3,6-dimethyl-2-oxidopyridazin-1-ium 1-oxide
InChI:
InChI=1S/C6H8N2O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4H,1-2H3
InChI Key:
KFFCQFVBMFBZAG-UHFFFAOYSA-N
SMILES:
Cc1ccc([n+]([n+]1[O-])[O-])C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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