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64657-96-1 | 3(2H)-Pyridazinone, 4-[(4-methoxyphenyl)methyl]-2-methyl-6-phenyl-
CAS No: 64657-96-1 Catalog No: AG00H915 MDL No:
Product Description
Catalog Number:
AG00H915
Chemical Name:
3(2H)-Pyridazinone, 4-[(4-methoxyphenyl)methyl]-2-methyl-6-phenyl-
CAS Number:
64657-96-1
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
4-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylpyridazin-3-one
InChI:
InChI=1S/C19H18N2O2/c1-21-19(22)16(12-14-8-10-17(23-2)11-9-14)13-18(20-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChI Key:
WRQFQTYSMLRWHE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1cc(nn(c1=O)C)c1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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