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Oprea1_118610 6-[2-(4-methoxyphenyl)ethenyl]-2-methyl-4,5-dihydropyrid

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摘 要:Oprea1_118610 6-[2-(4-methoxyphenyl)ethenyl]-2-methyl-4,5-dihydropyridazin-3-one,Canonical SMILES: CN1C(=O)CCC(=N1)C=CC2=CC=C(C=C2)OC,InChI: InChI=1/C14H16N2O2/c1-16-14(17)10-7-12(15-16)6-3-11-4-8-13(18-2)9-5-11/,h3-6,8-9H,7,10H2,1-2H3,Molecular Weig
[Synonyms]
Oprea1_118610
[Structure]
Oprea1_118610 6-[2-(4-methoxyphenyl)ethenyl]-2-methyl-4,5-dihydropyrid

[ Properties Computed from Structure]
Molecular Weight244.28904 [g/mol]
Molecular FormulaC14H16N2O2
XLogP2
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass244.121178
MonoIsotopic Mass244.121178
Topological Polar Surface Area41.9
Heavy Atom Count18
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-[2-(4-methoxyphenyl)ethenyl]-2-methyl-4,5-dihydropyridazin-3-one
Canonical SMILES: CN1C(=O)CCC(=N1)C=CC2=CC=C(C=C2)OC
InChI: InChI=1/C14H16N2O2/c1-16-14(17)10-7-12(15-16)6-3-11-4-8-13(18-2)9-5-11/
h3-6,8-9H,7,10H2,1-2H3

 
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