Free Chemical Databases
-
[Synonyms]
NSC99482
[Structure]
[ Properties Computed from Structure]
Molecular Weight 268.35174 [g/mol] Molecular Formula C21H16 XLogP 6.9 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 1 Exact Mass 268.125201 MonoIsotopic Mass 268.125201 Topological Polar Surface Area 0 Heavy Atom Count 21 Formal Charge 0 Complexity 340 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-methyl-9-phenylanthracene
Canonical SMILES: CC1=CC2=C(C3=CC=CC=C3C=C2C=C1)C4=CC=CC=C4
InChI: InChI=1/C21H16/c1-15-11-12-18-14-17-9-5-6-10-19(17)21(20(18)13-15)16-7-
3-2-4-8-16/h2-14H,1H3
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