92013-10-0 Purity
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Specification
The molecular formula is C10H9BrO4.
It was created on 2007-02-08 and last modified on 2023-12-30.
The IUPAC Name is 2-[(4-bromophenyl)methyl]propanedioic acid.
The InChIKey is DIBILFWSEHZMDI-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CC=C1CC(C(=O)O)C(=O)O)Br.
The molecular weight is 273.08 g/mol.
It has 2 hydrogen bond donor counts.
The exact mass is 271.96842 g/mol.
The topological polar surface area is 74.6 Ų.
Yes, the compound is canonicalized.