CAS
--- Purity
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--- Purity
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Specification
The molecular formula is C10H9NO7.
The molecular weight is 255.18 g/mol.
The IUPAC name is 2-(4-formyl-2-methoxy-5-nitrophenoxy)acetic acid.
The InChI is InChI=1S/C10H9NO7/c1-17-8-2-6(4-12)7(11(15)16)3-9(8)18-5-10(13)14/h2-4H,5H2,1H3,(H,13,14).
The InChIKey is OWVYIQJYENXHSX-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCC(=O)O.
The CAS number is 90429-09-7.
The EC number is 829-329-5.
The XLogP3-AA value is 0.8.
Yes, it is canonicalized.