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Specification
The molecular formula is C16H16O3.
The molecular weight is 256.30 g/mol.
The IUPAC name is 3-ethoxy-4-phenylmethoxybenzaldehyde.
The InChI is InChI=1S/C16H16O3/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
The InChIKey is NCOFQZRLIYPMNJ-UHFFFAOYSA-N.
The canonical SMILES representation is CCOC1=C(C=CC(=C1)C=O)OCC2=CC=CC=C2.
The CAS number is 60186-33-6.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 35.5Ų.
Yes, it is considered to be a canonicalized compound.