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Specification
The molecular formula of 5-tert-butyl-2-methoxybenzoic acid is C12H16O3.
The molecular weight of 5-tert-butyl-2-methoxybenzoic acid is 208.25 g/mol.
The IUPAC name of 5-tert-butyl-2-methoxybenzoic acid is 5-tert-butyl-2-methoxybenzoic acid.
The InChI of 5-tert-butyl-2-methoxybenzoic acid is InChI=1S/C12H16O3/c1-12(2,3)8-5-6-10(15-4)9(7-8)11(13)14/h5-7H,1-4H3,(H,13,14).
The InChIKey of 5-tert-butyl-2-methoxybenzoic acid is ZXMIDYAIOHHLRW-UHFFFAOYSA-N.
The canonical SMILES of 5-tert-butyl-2-methoxybenzoic acid is CC(C)(C)C1=CC(=C(C=C1)OC)C(=O)O.
The XLogP3 value of 5-tert-butyl-2-methoxybenzoic acid is 3.3.
5-tert-butyl-2-methoxybenzoic acid has 1 hydrogen bond donor count.
5-tert-butyl-2-methoxybenzoic acid has 3 hydrogen bond acceptor counts.
5-tert-butyl-2-methoxybenzoic acid has 3 rotatable bond counts.