CAS
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Specification
The molecular formula is C12H16O4.
The molecular weight is 224.25 g/mol.
The IUPAC name is 4-(2-ethoxyphenoxy)butanoic acid.
The InChI is InChI=1S/C12H16O4/c1-2-15-10-6-3-4-7-11(10)16-9-5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14).
The InChIKey is IRVVRBZLDZLBTI-UHFFFAOYSA-N.
The canonical SMILES is CCOC1=CC=CC=C1OCCCC(=O)O.
The XLogP3 value is 1.9.
It has one hydrogen bond donor count.
It has four hydrogen bond acceptor counts.
It has seven rotatable bond counts.