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21004-75-1 | Pyridazine, 3-methyl-, 1-oxide
CAS No: 21004-75-1 Catalog No: AG002KJT MDL No:
Product Description
Catalog Number:
AG002KJT
Chemical Name:
Pyridazine, 3-methyl-, 1-oxide
CAS Number:
21004-75-1
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
IUPAC Name:
3-methyl-1-oxidopyridazin-1-ium
InChI:
InChI=1S/C5H6N2O/c1-5-3-2-4-7(8)6-5/h2-4H,1H3
InChI Key:
TZLQKAOGTDAIBE-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc(n1)C
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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