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Specification
The IUPAC name of the compound is 3-hydroxy-1-(4-methoxyphenyl)cyclobutane-1-carboxylic acid.
The molecular formula of the compound is C12H14O4.
The molecular weight of the compound is 222.24 g/mol.
The InChI of the compound is InChI=1S/C12H14O4/c1-16-10-4-2-8(3-5-10)12(11(14)15)6-9(13)7-12/h2-5,9,13H,6-7H2,1H3,(H,14,15).
The InChIKey of the compound is LFTFNYUHJMESTD-UHFFFAOYSA-N.
The canonical SMILES of the compound is COC1=CC=C(C=C1)C2(CC(C2)O)C(=O)O.
The CAS number of the compound is 1353636-86-8.
The XLogP3-AA value of the compound is 1.1.
The compound has 2 hydrogen bond donor counts.
The compound has 4 hydrogen bond acceptor counts.