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75643-43-5 | 3(2H)-Pyridazinone, 4-acetyl-5,6-diphenyl-
CAS No: 75643-43-5 Catalog No: AG005J1K MDL No:
Product Description
Catalog Number:
AG005J1K
Chemical Name:
3(2H)-Pyridazinone, 4-acetyl-5,6-diphenyl-
CAS Number:
75643-43-5
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
5-acetyl-3,4-diphenyl-1H-pyridazin-6-one
InChI:
InChI=1S/C18H14N2O2/c1-12(21)15-16(13-8-4-2-5-9-13)17(19-20-18(15)22)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,22)
InChI Key:
KMNCCCLXSHQXTM-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(=O)[nH]nc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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