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90054-42-5 | 4(1H)-Pyridazinone, 3-(4-methoxyphenyl)-5-phenyl-
CAS No: 90054-42-5 Catalog No: AG00H8U5 MDL No:
Product Description
Catalog Number:
AG00H8U5
Chemical Name:
4(1H)-Pyridazinone, 3-(4-methoxyphenyl)-5-phenyl-
CAS Number:
90054-42-5
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
3-(4-methoxyphenyl)-5-phenyl-1H-pyridazin-4-one
InChI:
InChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)16-17(20)15(11-18-19-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)
InChI Key:
WSXYLGCBZGFQTH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]cc(c1=O)c1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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