Free Chemical Databases
-
[Synonyms]
4'-Acetylacrylanilide
EINECS 245-063-7
22535-53-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 189.21054 [g/mol] Molecular Formula C11H11NO2 XLogP 1.4 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 3 Tautomer Count 9 Exact Mass 189.078979 MonoIsotopic Mass 189.078979 Topological Polar Surface Area 46.2 Heavy Atom Count 14 Formal Charge 0 Complexity 240 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: N-(4-acetylphenyl)prop-2-enamide
Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C=C
InChI: InChI=1/C11H11NO2/c1-3-11(14)12-10-6-4-9(5-7-10)8(2)13/h3-7H,1H2,2H3,(H,
12,14)/f/h12H
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