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Home > Pyridines > 113708-16-0
113708-16-0 | 4-Pyridazinecarbonitrile, 1,6-dihydro-1-methyl-6-oxo-
CAS No: 113708-16-0 Catalog No: AG0009F7 MDL No:
Product Description
Catalog Number:
AG0009F7
Chemical Name:
4-Pyridazinecarbonitrile, 1,6-dihydro-1-methyl-6-oxo-
CAS Number:
113708-16-0
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
IUPAC Name:
1-methyl-6-oxopyridazine-4-carbonitrile
InChI:
InChI=1S/C6H5N3O/c1-9-6(10)2-5(3-7)4-8-9/h2,4H,1H3
InChI Key:
IIZJIWMRALAEQC-UHFFFAOYSA-N
SMILES:
Cn1ncc(cc1=O)C#N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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