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The molecular formula is C13H16NNaO4.
The molecular weight is 273.26 g/mol.
The IUPAC name is sodium;2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate.
The InChI is InChI=1S/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8+.
The canonical SMILES is CC(=CC(=O)OC)NC(C1=CCC=CC1)C(=O)[O-].[Na+].
The CAS number is 50316-92-2.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 5.
The rotatable bond count is 6.
The topological polar surface area is 78.5 ?2.
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