94142-97-9 Purity
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Specification
The molecular formula of Sodium 1-benzyl-5-phenylbarbiturate is C17H13N2NaO3.
The molecular weight of Sodium 1-benzyl-5-phenylbarbiturate is 316.29 g/mol.
The IUPAC name of Sodium 1-benzyl-5-phenylbarbiturate is sodium;1-benzyl-5-phenylpyrimidin-3-ide-2,4,6-trione.
The InChIKey of Sodium 1-benzyl-5-phenylbarbiturate is NQVAQHXQDRXALE-UHFFFAOYSA-M.
The Canonical SMILES of Sodium 1-benzyl-5-phenylbarbiturate is C1=CC=C(C=C1)CN2C(=O)C(C(=O)[N-]C2=O)C3=CC=CC=C3.[Na+].
The CAS number of Sodium 1-benzyl-5-phenylbarbiturate is 94201-48-6.
Sodium 1-benzyl-5-phenylbarbiturate has 4 hydrogen bond acceptors.
The topological polar surface area of Sodium 1-benzyl-5-phenylbarbiturate is 55.4 Ų.
Sodium 1-benzyl-5-phenylbarbiturate does not have any defined atom stereocenter count.
Yes, the compound is Canonicalized in PubChem.