9003-27-4 Purity
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Specification
The molecular formula of 3-Phenylglutaric acid is C11H12O4.
The molecular weight of 3-Phenylglutaric acid is 208.21 g/mol.
The IUPAC name of 3-Phenylglutaric acid is 3-phenylpentanedioic acid.
The InChI of 3-Phenylglutaric acid is InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15).
The InChIKey of 3-Phenylglutaric acid is RZOKZOYSUCSPDF-UHFFFAOYSA-N.
The canonical SMILES of 3-Phenylglutaric acid is C1=CC=C(C=C1)C(CC(=O)O)CC(=O)O.
The CAS number of 3-Phenylglutaric acid is 4165-96-2.
The XLogP3 value of 3-Phenylglutaric acid is 1.1.
3-Phenylglutaric acid has 2 hydrogen bond donor counts.
3-Phenylglutaric acid has 4 hydrogen bond acceptor counts.