Free Chemical Databases
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[Synonyms]
NSC57291
2-[1,1'-Biphenyl]-4-yl-2-oxoethyl laurate
Dodecanoic acid, 1,1'-biphenyl-4-ylcarbonylmethyl ester
4376-38-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 394.54636 [g/mol] Molecular Formula C26H34O3 XLogP 8.9 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 15 Tautomer Count 2 Exact Mass 394.250795 MonoIsotopic Mass 394.250795 Topological Polar Surface Area 43.4 Heavy Atom Count 29 Formal Charge 0 Complexity 445 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-oxo-2-(4-phenylphenyl)ethyl] dodecanoate
Canonical SMILES: CCCCCCCCCCCC(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI: InChI=1/C26H34O3/c1-2-3-4-5-6-7-8-9-13-16-26(28)29-21-25(27)24-19-17-23
(18-20-24)22-14-11-10-12-15-22/h10-12,14-15,17-20H,2-9,13,16,21H2,1H3
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