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Specification
The molecular formula is C12H14O5.
The molecular weight is 238.24 g/mol.
The IUPAC name is 4-(2,6-dimethoxyphenyl)-4-oxobutanoic acid.
The InChI is InChI=1S/C12H14O5/c1-16-9-4-3-5-10(17-2)12(9)8(13)6-7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15).
The InChIKey is SSGFEFAIKLRWNZ-UHFFFAOYSA-N.
The Canonical SMILES is COC1=C(C(=CC=C1)OC)C(=O)CCC(=O)O.
It has 1 hydrogen bond donor count.
It has 5 hydrogen bond acceptor counts.
The topological polar surface area is 72.8 Ų.
Yes, it is a canonicalized compound.
![Ethyl 4-[3-(morpholinomethyl)phenyl]-4-oxobutyrate](/v2/images/structure-default.jpg)
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