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STOCK4S-87482,ZINC02446778, 6-(2-methylprop-2-enoxy)-2H-pyridazin-3-on

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摘 要:STOCK4S-87482,ZINC02446778, 6-(2-methylprop-2-enoxy)-2H-pyridazin-3-one,Canonical SMILES: CC(=C)COC1=NNC(=O)C=C1,InChI: InChI=1/C8H10N2O2/c1-6(2)5-12-8-4-3-7(11)9-10-8/h3-4H,1,5H2,2H3,(H,9,,11)/f/h9H,Molecular Weight166.1772 [g/mol]Molecular FormulaC
[Synonyms]
STOCK4S-87482
ZINC02446778

[Structure]
STOCK4S-87482,ZINC02446778, 6-(2-methylprop-2-enoxy)-2H-pyridazin-3-on

[ Properties Computed from Structure]
Molecular Weight166.1772 [g/mol]
Molecular FormulaC8H10N2O2
XLogP1
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count2
Exact Mass166.074228
MonoIsotopic Mass166.074228
Topological Polar Surface Area50.7
Heavy Atom Count12
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6-(2-methylprop-2-enoxy)-2H-pyridazin-3-one
Canonical SMILES: CC(=C)COC1=NNC(=O)C=C1
InChI: InChI=1/C8H10N2O2/c1-6(2)5-12-8-4-3-7(11)9-10-8/h3-4H,1,5H2,2H3,(H,9,
11)/f/h9H

 
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