Free Chemical Databases
-
[Synonyms]
NSC17553
52651-49-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 240.29704 [g/mol] Molecular Formula C16H16O2 XLogP 3.4 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 1 Tautomer Count 13 Exact Mass 240.11503 MonoIsotopic Mass 240.11503 Topological Polar Surface Area 34.1 Heavy Atom Count 18 Formal Charge 0 Complexity 419 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione
Canonical SMILES: CCC1CCC2=C(C1)C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/
h3-6,10H,2,7-9H2,1H3
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