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The molecular formula is C18H30O2.
The molecular weight is 278.4 g/mol.
The IUPAC Name is 1-(4-nonylphenoxy)propan-2-ol.
The Canonical SMILES is CCCCCCCCCC1=CC=C(C=C1)OCC(C)O.
The InChI is InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20-15-16(2)19/h11-14,16,19H,3-10,15H2,1-2H3
The InChIKey is WLCXMYXZQNWTKN-UHFFFAOYSA-N.
It has 1 Hydrogen Bond Donor Count.
The XLogP3-AA value is 6.2.
It has 11 Rotatable Bond Count.
Yes, it is a canonicalized compound.
94237-09-9
94237-10-2
94237-14-6
94237-16-8
94237-17-9
94237-18-0
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