127-08-2 Purity
95%+
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Specification
The molecular formula is C15H15La.
The molecular weight is 334.18 g/mol.
The IUPAC name is cyclopenta-1,3-diene;lanthanum(3+).
The InChI is InChI=1S/3C5H5.La/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3.
The InChIKey is DYPIGRVRIMDVFA-UHFFFAOYSA-N.
The canonical SMILES is [CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[La+3].
The CAS number is 1272-23-7.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 3.
Yes, Tris(cyclopentadienyl)lanthanum(III) is canonicalized.