Free Chemical Databases
-
[Synonyms]
NSC281733
[Structure]
[ Properties Computed from Structure]
Molecular Weight 264.31844 [g/mol] Molecular Formula C18H16O2 XLogP 4.3 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 2 Exact Mass 264.11503 MonoIsotopic Mass 264.11503 Topological Polar Surface Area 34.1 Heavy Atom Count 20 Formal Charge 0 Complexity 388 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-(2-ethylphenyl)-2-methylindene-1,3-dione
Canonical SMILES: CCC1=CC=CC=C1C2(C(=O)C3=CC=CC=C3C2=O)C
InChI: InChI=1/C18H16O2/c1-3-12-8-4-7-11-15(12)18(2)16(19)13-9-5-6-10-14(13)17
(18)20/h4-11H,3H2,1-2H3
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