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Specification
The molecular formula is C17H16O4.
The synonyms are MFCD11888449 and AKOS015948364.
The molecular weight is 284.31 g/mol.
It was created on May 29, 2009.
It was last modified on November 25, 2023.
The IUPAC name is (3-formylphenyl) 4-phenoxybutanoate.
The InChI is InChI=1S/C17H16O4/c18-13-14-6-4-9-16(12-14)21-17(19)10-5-11-20-15-7-2-1-3-8-15/h1-4,6-9,12-13H,5,10-11H2.
The InChIKey is UQYSLYIPAYVJQK-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)OCCCC(=O)OC2=CC=CC(=C2)C=O.
The XLogP3-AA value is 3.1.