25998-97-0 Purity
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Specification
The molecular formula of Phenylmalonic acid is C9H8O4.
The molecular weight of Phenylmalonic acid is 180.16 g/mol.
The IUPAC name of Phenylmalonic acid is 2-phenylpropanedioic acid.
The Canonical SMILES representation of Phenylmalonic acid is C1=CC=C(C=C1)C(C(=O)O)C(=O)O.
There are 2 hydrogen bond donor counts in Phenylmalonic acid.
The exact mass of Phenylmalonic acid is 180.04225873 g/mol.
The topological polar surface area of Phenylmalonic acid is 74.6Ų.
There are 13 heavy atoms present in Phenylmalonic acid.
There are 3 rotatable bond counts in Phenylmalonic acid.
The complexity value of Phenylmalonic acid is 192.
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