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2-hydroxy-5-(4-methylphenyl)diazenylcyclohepta-2,4,6-trien-1-one,Cano

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摘 要: 2-hydroxy-5-(4-methylphenyl)diazenylcyclohepta-2,4,6-trien-1-one,Canonical SMILES: CC1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)O,InChI: InChI=1/C14H12N2O2/c1-10-2-4-11(5-3-10)15-16-12-6-8-13(17)14(18)9-7-12/,h2-9H,1H3,(H,17,18)/b16-15+/f/h17H,Molecular Weigh
[Synonyms]

[Structure]
 2-hydroxy-5-(4-methylphenyl)diazenylcyclohepta-2,4,6-trien-1-one,Cano

[ Properties Computed from Structure]
Molecular Weight240.25728 [g/mol]
Molecular FormulaC14H12N2O2
XLogP3.7
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count2
Tautomer Count3
Exact Mass240.089878
MonoIsotopic Mass240.089878
Topological Polar Surface Area62
Heavy Atom Count18
Formal Charge0
Complexity439
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: 2-hydroxy-5-(4-methylphenyl)diazenylcyclohepta-2,4,6-trien-1-one
Canonical SMILES: CC1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)O
InChI: InChI=1/C14H12N2O2/c1-10-2-4-11(5-3-10)15-16-12-6-8-13(17)14(18)9-7-12/
h2-9H,1H3,(H,17,18)/b16-15+/f/h17H

 
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