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The molecular formula is C17H17NO4.
The molecular weight is 299.32 g/mol.
The IUPAC name is 4-(4-tert-butylphenoxy)-3-nitrobenzaldehyde.
The InChI is InChI=1S/C17H17NO4/c1-17(2,3)13-5-7-14(8-6-13)22-16-9-4-12(11-19)10-15(16)18(20)21/h4-11H,1-3H3.
The InChIKey is VUZJGTKCIXGAGD-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-].
The XLogP3-AA value is 4.4.
The compound has 0 hydrogen bond donor counts.
The compound has 4 hydrogen bond acceptor counts.
The compound has 4 rotatable bond counts.
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