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Home > Pyridines > 113758-54-6
113758-54-6 | 3(2H)-Pyridazinone, 4,5-dihydro-6-[4-(2-oxopropoxy)phenyl]-
CAS No: 113758-54-6 Catalog No: AG0009LJ MDL No:
Product Description
Catalog Number:
AG0009LJ
Chemical Name:
3(2H)-Pyridazinone, 4,5-dihydro-6-[4-(2-oxopropoxy)phenyl]-
CAS Number:
113758-54-6
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
3-[4-(2-oxopropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C13H14N2O3/c1-9(16)8-18-11-4-2-10(3-5-11)12-6-7-13(17)15-14-12/h2-5H,6-8H2,1H3,(H,15,17)
InChI Key:
NDMKCMJIPXKJFR-UHFFFAOYSA-N
SMILES:
CC(=O)COc1ccc(cc1)C1=NNC(=O)CC1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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