CAS
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Specification
The molecular formula is C11H11NO7.
The molecular weight is 269.21 g/mol.
The IUPAC name is 2-(4-formyl-2-methoxy-6-nitrophenoxy)propanoic acid.
The InChI is InChI=1S/C11H11NO7/c1-6(11(14)15)19-10-8(12(16)17)3-7(5-13)4-9(10)18-2/h3-6H,1-2H3,(H,14,15).
The InChIKey is JANBLAADNZANNL-UHFFFAOYSA-N.
The canonical SMILES is CC(C(=O)O)OC1=C(C=C(C=C1OC)C=O)[N+](=O)[O-].
The CAS number is 812642-66-3.
The XLogP3-AA value is 1.2.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 7.