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Home > Pyridines > 138366-12-8
138366-12-8 | 3(2H)-Pyridazinone, 4-benzoyl-
CAS No: 138366-12-8 Catalog No: AG0018NF MDL No:
Product Description
Catalog Number:
AG0018NF
Chemical Name:
3(2H)-Pyridazinone, 4-benzoyl-
CAS Number:
138366-12-8
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
5-benzoyl-1H-pyridazin-6-one
InChI:
InChI=1S/C11H8N2O2/c14-10(8-4-2-1-3-5-8)9-6-7-12-13-11(9)15/h1-7H,(H,13,15)
InChI Key:
VMKRRKFPWMXKOS-UHFFFAOYSA-N
SMILES:
O=c1[nH]nccc1C(=O)c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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