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The molecular formula is C9H9NO4.
The IUPAC name is 2-(4-nitrophenyl)propanoic acid.
The molecular weight is 195.17 g/mol.
The synonyms are 2-(4-nitrophenyl)propanoic acid, 19910-33-9, MFCD00012106, and Benzeneacetic acid, alpha-methyl-4-nitro-.
The CAS number is 19910-33-9.
The InChI is InChI=1S/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12).
The InChIKey is RBSRRICSXWXMRC-UHFFFAOYSA-N.
The Canonical SMILES is CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O.
The XLogP3-AA value is 1.8.
The topological polar surface area is 83.1Ų.
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