97885-49-9 Purity
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The molecular formula of 4-Benzyloxy-3,5-dimethylbenzoic acid is C16H16O3.
The molecular weight of 4-Benzyloxy-3,5-dimethylbenzoic acid is 256.30 g/mol.
The InChIKey of 4-Benzyloxy-3,5-dimethylbenzoic acid is JABUPJCJZZNUFK-UHFFFAOYSA-N.
The Canonical SMILES of 4-Benzyloxy-3,5-dimethylbenzoic acid is CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C(=O)O.
The CAS number of 4-Benzyloxy-3,5-dimethylbenzoic acid is 97888-80-7.
There is one hydrogen bond donor count in 4-Benzyloxy-3,5-dimethylbenzoic acid.
The XLogP3-AA value of 4-Benzyloxy-3,5-dimethylbenzoic acid is 3.6.
The topological polar surface area of 4-Benzyloxy-3,5-dimethylbenzoic acid is 46.5 square angstroms.
There are four rotatable bond counts in 4-Benzyloxy-3,5-dimethylbenzoic acid.
Yes, 4-Benzyloxy-3,5-dimethylbenzoic acid is a canonicalized compound.