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The molecular formula of 3-Methoxy-4-t-butylbenzoic acid is C12H16O3.
The molecular weight of 3-Methoxy-4-t-butylbenzoic acid is 208.25 g/mol.
The IUPAC name of 3-Methoxy-4-t-butylbenzoic acid is 4-tert-butyl-3-methoxybenzoic acid.
The InChI of 3-Methoxy-4-t-butylbenzoic acid is InChI=1S/C12H16O3/c1-12(2,3)9-6-5-8(11(13)14)7-10(9)15-4/h5-7H,1-4H3,(H,13,14).
The InChIKey of 3-Methoxy-4-t-butylbenzoic acid is CSJQLIMNCLFPLZ-UHFFFAOYSA-N.
The canonical SMILES of 3-Methoxy-4-t-butylbenzoic acid is CC(C)(C)C1=C(C=C(C=C1)C(=O)O)OC.
The CAS number of 3-Methoxy-4-t-butylbenzoic acid is 79822-46-1.
The XLogP3-AA value of 3-Methoxy-4-t-butylbenzoic acid is 3.1.
Yes, 3-Methoxy-4-t-butylbenzoic acid is a canonicalized compound.
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