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Specification
The molecular formula of the compound is C14H10O3.
The molecular weight of the compound is 226.23 g/mol.
The IUPAC name of the compound is (3-formylphenyl) benzoate.
The InChI of the compound is InChI=1S/C14H10O3/c15-10-11-5-4-8-13(9-11)17-14(16)12-6-2-1-3-7-12/h1-10H.
The InChIKey of the compound is GLPVHTPQFPBPNA-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=O.
The XLogP3 value of the compound is 3.1.
The compound has 0 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor count.
The compound has 4 rotatable bond count.