Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 249.26404 [g/mol] Molecular Formula C16H11NO2 XLogP 4.7 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 1 Tautomer Count 2 Exact Mass 249.078979 MonoIsotopic Mass 249.078979 Topological Polar Surface Area 43.1 Heavy Atom Count 19 Formal Charge 0 Complexity 338 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 9-(2-nitroethenyl)anthracene
Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C[N+](=O)[O-]
InChI: InChI=1/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15
(13)16/h1-11H
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