Free Chemical Databases
-
[Synonyms]
CBMicro_011739
NSC409876
3510-50-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 296.27748 [g/mol] Molecular Formula C16H12N2O4 XLogP 4.3 H-Bond Donor 0 H-Bond Acceptor 6 Rotatable Bond Count 3 Exact Mass 296.079707 MonoIsotopic Mass 296.079707 Topological Polar Surface Area 61.6 Heavy Atom Count 22 Formal Charge 0 Complexity 402 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 2 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(1,
3-benzodioxol-5-ylmethylideneamino)methanimine
Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=NN=CC3=CC4=C(C=C3)OCO4
InChI: InChI=1/C16H12N2O4/c1-3-13-15(21-9-19-13)5-11(1)7-17-18-8-12-2-4-14-16
(6-12)22-10-20-14/h1-8H,9-10H2
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