Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 224.25788 [g/mol] Molecular Formula C14H12N2O XLogP 3.2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 3 Exact Mass 224.094963 MonoIsotopic Mass 224.094963 Topological Polar Surface Area 56.8 Heavy Atom Count 17 Formal Charge 0 Complexity 390 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: 2-[3-(4-methoxyphenyl)-2-methylprop-2-enylidene]propanedinitrile
Canonical SMILES: CC(=CC1=CC=C(C=C1)OC)C=C(C#N)C#N
InChI: InChI=1/C14H12N2O/c1-11(8-13(9-15)10-16)7-12-3-5-14(17-2)6-4-12/h3-8H,
1-2H3
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