CAS
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Specification
The molecular formula is C12H17NO4.
The molecular weight is 239.27 g/mol.
The IUPAC name is 4-butoxy-N-hydroxy-3-methoxybenzamide.
The InChI is InChI=1S/C12H17NO4/c1-3-4-7-17-10-6-5-9(12(14)13-15)8-11(10)16-2/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14).
The InChIKey is UTOLMUUYIQFHDG-UHFFFAOYSA-N.
The canonical SMILES is CCCCOC1=C(C=C(C=C1)C(=O)NO)OC.
The XLogP3 value is 2.1.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
The topological polar surface area is 67.8Ų.