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Specification
The molecular formula of the compound is C10H10O4.
The molecular weight of the compound is 194.18 g/mol.
The IUPAC name of the compound is 2-(3-formylphenoxy)propanoic acid.
The InChI of the compound is InChI=1S/C10H10O4/c1-7(10(12)13)14-9-4-2-3-8(5-9)6-11/h2-7H,1H3,(H,12,13).
The InChIKey of the compound is RQNVJMDOWVHJHD-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(C(=O)O)OC1=CC=CC(=C1)C=O.
The CAS number of the compound is 51264-77-8.
The XLogP3 value of the compound is 1.1.
The compound has 1 hydrogen bond donor count.
The topological polar surface area of the compound is 63.6Ų.