54426-34-5 Purity
96%
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Specification
The molecular formula of 4,4-Stilbenedicarboxylic acid is C16H12O4.
The molecular weight of 4,4-Stilbenedicarboxylic acid is 268.26 g/mol.
The IUPAC name of 4,4-Stilbenedicarboxylic acid is 4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid.
The InChI of 4,4-Stilbenedicarboxylic acid is InChI=1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)/b2-1+.
The InChIKey of 4,4-Stilbenedicarboxylic acid is SBBQDUFLZGOASY-OWOJBTEDSA-N.
The canonical SMILES of 4,4-Stilbenedicarboxylic acid is C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O).
4,4-Stilbenedicarboxylic acid has 2 hydrogen bond donor counts.
4,4-Stilbenedicarboxylic acid has 4 hydrogen bond acceptor counts.
4,4-Stilbenedicarboxylic acid has 4 rotatable bond counts.
The topological polar surface area of 4,4-Stilbenedicarboxylic acid is 74.6Ų.