Free Chemical Databases
-
[Synonyms]
NSC358760
81077-53-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 296.27748 [g/mol] Molecular Formula C16H12N2O4 XLogP 3.9 H-Bond Donor 1 H-Bond Acceptor 6 Rotatable Bond Count 3 Tautomer Count 2 Exact Mass 296.079707 MonoIsotopic Mass 296.079707 Topological Polar Surface Area 77 Heavy Atom Count 22 Formal Charge 0 Complexity 431 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-phenyl-5-(phenylhydrazinylidene)-1,3-dioxane-4,6-dione
Canonical SMILES: C1=CC=C(C=C1)C2OC(=O)C(=NNC3=CC=CC=C3)C(=O)O2
InChI: InChI=1/C16H12N2O4/c19-14-13(18-17-12-9-5-2-6-10-12)15(20)22-16(21-14)
11-7-3-1-4-8-11/h1-10,16-17H/b18-13-
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