930111-86-7 Purity
96%
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Specification
The molecular formula is C16H14O5.
The molecular weight is 286.28 g/mol.
The IUPAC name is 4-(2,5-dimethoxybenzoyl)benzoic acid.
The InChI code is InChI=1S/C16H14O5/c1-20-12-7-8-14(21-2)13(9-12)15(17)10-3-5-11(6-4-10)16(18)19/h3-9H,1-2H3,(H,18,19).
The InChIKey is SFMJTPNGPIXLOL-UHFFFAOYSA-N.
The canonical SMILES representation is COC1=CC(=C(C=C1)OC)C(=O)C2=CC=C(C=C2)C(=O)O.
The CAS number is 93012-66-9.
The ChEMBL ID is CHEMBL1561470.
The XLogP3-AA value is 2.7.
Yes, it is a canonicalized compound according to PubChem.