959095-94-4 Purity
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Specification
The molecular formula is C22H20O4.
The synonyms are 1,2-BIS(3-FORMYLPHENOXY)XYLENE, 95912-31-5, 3-[6-(3-formylphenoxy)-1,6-dimethylcyclohexa-2,4-dien-1-yl]oxybenzaldehyde, 3,3'-((1,2-Dimethylcyclohexa-3,5-diene-1,2-diyl)bis(oxy))dibenzaldehyde, and 3,3'-[(1,2-Dimethylcyclohexa-3,5-diene-1,2-diyl)bis(oxy)]dibenzaldehyde.
The molecular weight is 348.4 g/mol.
The IUPAC name is 3-[6-(3-formylphenoxy)-1,6-dimethylcyclohexa-2,4-dien-1-yl]oxybenzaldehyde.
The InChI is InChI=1S/C22H20O4/c1-21(25-19-9-5-7-17(13-19)15-23)11-3-4-12-22(21,2)26-20-10-6-8-18(14-20)16-24/h3-16H,1-2H3.
The InChIKey is WZXZUPOEXDIYPT-UHFFFAOYSA-N.
The canonical SMILES is CC1(C=CC=CC1(C)OC2=CC=CC(=C2)C=O).
The XLogP3-AA value is 4.
It doesn't have any hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.