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Specification
The molecular formula of 4-(Phenoxymethyl)benzenecarboxylic acid is C14H12O3.
The molecular weight of 4-(Phenoxymethyl)benzenecarboxylic acid is 228.24 g/mol.
The IUPAC name of 4-(Phenoxymethyl)benzenecarboxylic acid is 4-(phenoxymethyl)benzoic acid.
The InChI of 4-(Phenoxymethyl)benzenecarboxylic acid is InChI=1S/C14H12O3/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16).
The InChIKey of 4-(Phenoxymethyl)benzenecarboxylic acid is GRBUVHSYBRTCIB-UHFFFAOYSA-N.
The canonical SMILES of 4-(Phenoxymethyl)benzenecarboxylic acid is C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)O.
The CAS number of 4-(Phenoxymethyl)benzenecarboxylic acid is 31719-76-3.
The XLogP3 value of 4-(Phenoxymethyl)benzenecarboxylic acid is 3.3.
4-(Phenoxymethyl)benzenecarboxylic acid has 1 hydrogen bond donor count.
4-(Phenoxymethyl)benzenecarboxylic acid has 4 rotatable bond count.