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The molecular formula is C13H16O4.
The compound is also known as 3-(Butoxy-2-hydroxyphenyl)acrylic acid and has the CAS number 94248-08-5.
The molecular weight is 236.26 g/mol.
The IUPAC name is (E)-3-(3-butoxy-2-hydroxyphenyl)prop-2-enoic acid.
The InChI is InChI=1S/C13H16O4/c1-2-3-9-17-11-6-4-5-10(13(11)16)7-8-12(14)15/h4-8,16H,2-3,9H2,1H3,(H,14,15)/b8-7+.
The InChIKey is CJSJEUGOFYDQOU-BQYQJAHWSA-N.
The canonical SMILES is CCCCOC1=CC=CC(=C1O)C=CC(=O)O.
The isomeric SMILES is CCCCOC1=CC=CC(=C1O)/C=C/C(=O)O.
The XLogP3-AA value is 2.7.
Yes, the compound is canonicalized.
94248-03-0
94248-04-1
94248-07-4
94248-13-2
94248-17-6
94248-18-7
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