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Specification
The molecular formula of 5-formyl-2-methoxybenzoic acid is C9H8O4.
The molecular weight of 5-formyl-2-methoxybenzoic acid is 180.16 g/mol.
The IUPAC name of 5-formyl-2-methoxybenzoic acid is 5-formyl-2-methoxybenzoic acid.
The InChI of 5-formyl-2-methoxybenzoic acid is InChI=1S/C9H8O4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3,(H,11,12).
The InChIKey of 5-formyl-2-methoxybenzoic acid is TTZPGMWNBQKNKX-UHFFFAOYSA-N.
The canonical SMILES of 5-formyl-2-methoxybenzoic acid is COC1=C(C=C(C=C1)C=O)C(=O)O.
The CAS number of 5-formyl-2-methoxybenzoic acid is 84923-70-6.
The European Community (EC) number of 5-formyl-2-methoxybenzoic acid is 865-672-7.
The XLogP3 value of 5-formyl-2-methoxybenzoic acid is 1.1.
Yes, 5-formyl-2-methoxybenzoic acid is a canonicalized compound.